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[ CAS No. 362707-24-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 362707-24-2
Chemical Structure| 362707-24-2
Structure of 362707-24-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 362707-24-2 ]

CAS No. :362707-24-2 MDL No. :MFCD16657128
Formula : C8H16ClNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :YAZALZOFBRGMKB-UHFFFAOYSA-N
M.W : 209.67 Pubchem ID :53308476
Synonyms :

Calculated chemistry of [ 362707-24-2 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.88
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 50.24
TPSA : 61.55 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) : -7.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.11
Log Po/w (WLOGP) : 0.72
Log Po/w (MLOGP) : 0.15
Log Po/w (SILICOS-IT) : 0.81
Consensus Log Po/w : 0.36

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.01
Solubility : 20.4 mg/ml ; 0.0974 mol/l
Class : Very soluble
Log S (Ali) : -0.96
Solubility : 23.1 mg/ml ; 0.11 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.11
Solubility : 16.1 mg/ml ; 0.0767 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.13

Safety of [ 362707-24-2 ]

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