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[ CAS No. 2481-09-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2481-09-6
Chemical Structure| 2481-09-6
Structure of 2481-09-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 2481-09-6 ]

CAS No. :2481-09-6 MDL No. :MFCD00037426
Formula : C7H16ClNO2S Boiling Point : No data available
Linear Structure Formula :- InChI Key :MHBMYFJKEBCMDR-JEDNCBNOSA-N
M.W : 213.73 Pubchem ID :17750295
Synonyms :
Chemical Name :H-Cys(tBu)-OH.HCl

Calculated chemistry of [ 2481-09-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.86
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 54.84
TPSA : 88.62 ?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) : -8.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.93
Log Po/w (WLOGP) : 1.73
Log Po/w (MLOGP) : -1.14
Log Po/w (SILICOS-IT) : 0.29
Consensus Log Po/w : -0.01

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.32
Solubility : 103.0 mg/ml ; 0.484 mol/l
Class : Very soluble
Log S (Ali) : -0.45
Solubility : 76.3 mg/ml ; 0.357 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.67
Solubility : 46.0 mg/ml ; 0.215 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.84

Safety of [ 2481-09-6 ]

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