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[ CAS No. 138-15-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 138-15-8
Chemical Structure| 138-15-8
Structure of 138-15-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 138-15-8 ]

CAS No. :138-15-8 MDL No. :MFCD00012619
Formula : C5H10ClNO4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :RPAJSBKBKSSMLJ-DFWYDOINSA-N
M.W : 183.59 Pubchem ID :2723891
Synonyms :
Chemical Name :(S)-2-Aminopentanedioic acid hydrochloride

Calculated chemistry of [ 138-15-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 39.36
TPSA : 100.62 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -2.89
Log Po/w (WLOGP) : 0.07
Log Po/w (MLOGP) : -2.8
Log Po/w (SILICOS-IT) : -1.19
Consensus Log Po/w : -1.36

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : 1.11
Solubility : 2350.0 mg/ml ; 12.8 mol/l
Class : Highly soluble
Log S (Ali) : 1.33
Solubility : 3970.0 mg/ml ; 21.6 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.89
Solubility : 1440.0 mg/ml ; 7.83 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.9

Safety of [ 138-15-8 ]

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

Application In Synthesis of [ 138-15-8 ]

* 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 [ 138-15-8 ]

[ 138-15-8 ] Synthesis Path-Downstream   1~7

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