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[ CAS No. 19246-18-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 19246-18-5
Chemical Structure| 19246-18-5
Structure of 19246-18-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 19246-18-5 ]

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Product Details of [ 19246-18-5 ]

CAS No. :19246-18-5 MDL No. :MFCD00055567
Formula : C5H10N2O3S Boiling Point : -
Linear Structure Formula :NH2CH(CH2SH)CONHCH2COOH InChI Key :ZUKPVRWZDMRIEO-VKHMYHEASA-N
M.W : 178.21 Pubchem ID :439498
Synonyms :
Chemical Name :(R)-2-(2-Amino-3-mercaptopropanamido)acetic acid

Calculated chemistry of [ 19246-18-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 41.56
TPSA : 131.22 ?2

Pharmacokinetics

GI absorption : Low
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) : -10.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.18
Log Po/w (XLOGP3) : -3.73
Log Po/w (WLOGP) : -1.56
Log Po/w (MLOGP) : -1.37
Log Po/w (SILICOS-IT) : -1.08
Consensus Log Po/w : -1.51

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.74
Solubility : 9680.0 mg/ml ; 54.3 mol/l
Class : Highly soluble
Log S (Ali) : 1.56
Solubility : 6530.0 mg/ml ; 36.6 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.14
Solubility : 245.0 mg/ml ; 1.37 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.03

Safety of [ 19246-18-5 ]

Signal Word:Danger Class:9
Precautionary Statements:P260-P264-P270-P273-P280-P301+P312+P330-P304+P312-P305+P351+P338-P314-P337+P313-P391-P501 UN#:3077
Hazard Statements:H302-H319-H332-H372-H400 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 19246-18-5 ]

* 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 [ 19246-18-5 ]
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