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[ CAS No. 28862-79-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 28862-79-5
Chemical Structure| 28862-79-5
Structure of 28862-79-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 28862-79-5 ]

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Product Details of [ 28862-79-5 ]

CAS No. :28862-79-5 MDL No. :MFCD00066068
Formula : C14H19NO4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :USPFMEKVPDBMCG-GFCCVEGCSA-N
M.W : 265.31 Pubchem ID :7000099
Synonyms :
Chemical Name :Z-D-Leu-OH

Calculated chemistry of [ 28862-79-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.43
Num. rotatable bonds : 8
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 71.3
TPSA : 75.63 ?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) : -5.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.33
Log Po/w (XLOGP3) : 2.76
Log Po/w (WLOGP) : 2.26
Log Po/w (MLOGP) : 1.96
Log Po/w (SILICOS-IT) : 1.78
Consensus Log Po/w : 2.22

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.93
Solubility : 0.312 mg/ml ; 0.00118 mol/l
Class : Soluble
Log S (Ali) : -4.0
Solubility : 0.0263 mg/ml ; 0.0000992 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.19
Solubility : 0.169 mg/ml ; 0.000638 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.79

Safety of [ 28862-79-5 ]

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

Application In Synthesis of [ 28862-79-5 ]

* 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 [ 28862-79-5 ]

[ 28862-79-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 28862-79-5 ]
  • [ 16741-80-3 ]
  • (R)-2-((R)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-3-benzylsulfanyl-propionic acid [ No CAS ]
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