1-Chloroethyl cyclohexyl carbonate

Name: 1-Chloroethyl cyclohexyl carbonate
SKU: PI99464832
Rating: 5 (1 reviews)

Cat. No.: PI99464832

Product Details Other Identifiers Computed Properties

CAS	99464-83-2
Purity	97%
Molecular Formula	C9H15ClO3
Molecular Weight	206.67
Molar Refractivity	50.82

Pubchem ID	11229529
InChI Key	ONZWFHWHTYZZLM-UHFFFAOYSA-N
MDL Number	MFCD04038149

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	35.53 Å²
Heavy Atom Count	13
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.89
Log Po/w (iLOGP)	2.89
Log Po/w (XLOGP3)	3.45
Log Po/w (WLOGP)	3.06
Log Po/w (MLOGP)	1.71
Log Po/w (SILICOS-IT)	2.02
Consensus Log Po/w	2.63
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.11 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.06

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