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[ CAS No. 33645-24-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 33645-24-8
Chemical Structure| 33645-24-8
Structure of 33645-24-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 33645-24-8 ]

CAS No. :33645-24-8 MDL No. :MFCD00038977
Formula : C11H16ClNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :IDZGTFSDZJVMSD-SCYNACPDSA-N
M.W : 245.70 Pubchem ID :16216248
Synonyms :
H-Thr-Obzl.HCl

Calculated chemistry of [ 33645-24-8 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.36
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 62.76
TPSA : 72.55 Ų

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) : -6.89 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.28
Log Po/w (WLOGP) : 1.09
Log Po/w (MLOGP) : 1.13
Log Po/w (SILICOS-IT) : 0.97
Consensus Log Po/w : 0.89

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.12
Solubility : 1.88 mg/ml ; 0.00763 mol/l
Class : Soluble
Log S (Ali) : -2.4
Solubility : 0.971 mg/ml ; 0.00395 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.05
Solubility : 2.2 mg/ml ; 0.00895 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.66

Safety of [ 33645-24-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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