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[ CAS No. 2899-28-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2899-28-7
Chemical Structure| 2899-28-7
Structure of 2899-28-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 2899-28-7 ]

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Product Details of [ 2899-28-7 ]

CAS No. :2899-28-7 MDL No. :MFCD00038993
Formula : C13H17ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :PESYCVVSLYSXAK-MERQFXBCSA-N
M.W : 268.74 Pubchem ID :134519
Synonyms :
Chemical Name :Ethyl L-tryptophanate hydrochloride

Calculated chemistry of [ 2899-28-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.31
Num. rotatable bonds : 5
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 73.45
TPSA : 68.11 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.02 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.71
Log Po/w (WLOGP) : 2.4
Log Po/w (MLOGP) : 1.37
Log Po/w (SILICOS-IT) : 2.41
Consensus Log Po/w : 1.78

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.25
Solubility : 0.15 mg/ml ; 0.000558 mol/l
Class : Soluble
Log S (Ali) : -3.79
Solubility : 0.0432 mg/ml ; 0.000161 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.87
Solubility : 0.0366 mg/ml ; 0.000136 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.47

Safety of [ 2899-28-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2899-28-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 2899-28-7 ]

[ 2899-28-7 ] Synthesis Path-Downstream   1~22

  • 1
  • [ 498-94-2 ]
  • [ 2899-28-7 ]
  • [ 82827-47-2 ]
  • 2
  • [ 108-86-1 ]
  • [ 2899-28-7 ]
  • [ 154721-38-7 ]
  • 3
  • [ 93-10-7 ]
  • [ 2899-28-7 ]
  • [ 82827-38-1 ]
  • 4
  • [ 31357-58-1 ]
  • [ 2899-28-7 ]
  • [ 77291-48-6 ]
  • 5
  • [ 1145-80-8 ]
  • [ 2899-28-7 ]
  • [ 104926-48-9 ]
  • 7
  • [ 3103-33-1 ]
  • [ 2899-28-7 ]
  • [ 104926-46-7 ]
  • 8
  • [ 1803-64-1 ]
  • [ 2899-28-7 ]
  • [ 104926-45-6 ]
  • 9
  • [ 32159-21-0 ]
  • [ 2899-28-7 ]
  • [ 87694-59-5 ]
  • 10
  • [ 201230-82-2 ]
  • [ 2899-28-7 ]
  • [ 147102-81-6 ]
  • 3-[(S)-1-Ethoxycarbonyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-2,2-dimethyl-but-3-enoic acid tert-butyl ester [ No CAS ]
  • 11
  • [ 2899-28-7 ]
  • [ 76098-31-2 ]
  • [ 81159-61-7 ]
  • 12
  • [ 2899-28-7 ]
  • [ 90702-53-7 ]
  • [ 100923-09-9 ]
  • [ 100923-09-9 ]
  • 13
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  • [ 3103-28-4 ]
  • [ 104926-47-8 ]
  • 14
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  • [ 98-79-3 ]
  • [ 87694-58-4 ]
  • 15
  • [ 1168-87-2 ]
  • [ 2899-28-7 ]
  • [ 218799-33-8 ]
  • 16
  • [ 2899-28-7 ]
  • [ 218799-35-0 ]
  • N-<1-(8-nitropyrenesulfonyl)>-L-alanyl-L-tryptophan ethyl ester [ No CAS ]
  • 17
  • 2-(1-pentafluorophenyloxycarbonylamino-2-phenyl-ethyl)-[1,3]oxazinane-3-carboxylic acid <i>tert</i>-butyl ester [ No CAS ]
  • [ 2899-28-7 ]
  • 2-(1-{3-[1-ethoxycarbonyl-2-(1H-indol-3-yl)-ethyl]-ureido}-2-phenyl-ethyl)-[1,3]oxazinane-3-carboxylic acid tert-butyl ester [ No CAS ]
  • 18
  • [ 2899-28-7 ]
  • [ 104-94-9 ]
  • [ 74734-11-5 ]
  • 5-(1<i>H</i>-indol-3-ylmethyl)-3-(4-methoxy-phenyl)-2-thioxo-imidazolidin-4-one [ No CAS ]
  • 19
  • [ 2899-28-7 ]
  • [ 74734-11-5 ]
  • [ 75-31-0 ]
  • (S)-5-((1H-indol-3-yl)methyl)-3-isopropyl-2-thioxoimidazolidin-2,4-dione [ No CAS ]
  • 20
  • [ 2899-28-7 ]
  • [ 74734-11-5 ]
  • [ 109-73-9 ]
  • (S)-5-((1H-indol-3-yl)methyl)-3-butyl-2-thioxoimidazolidin-4-one [ No CAS ]
  • 21
  • [ 2899-28-7 ]
  • [ 13139-14-5 ]
  • [ 936739-94-5 ]
  • 22
  • [ 500-98-1 ]
  • [ 2899-28-7 ]
  • PhCH2C(O)-Gly-L-Trp-OEt [ No CAS ]
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