Suberoyl Chloride

Cat. No.: PI10027073

Product Details Other Identifiers Computed Properties

CAS	10027-07-3
Synonyms	Suberoylchloride
Purity	98%
Molecular Formula	C8H12Cl2O2
Molecular Weight	211.09
Molar Refractivity	50.56

Pubchem ID	534653
InChI Key	PUIBKAHUQOOLSW-UHFFFAOYSA-N
MDL Number	MFCD00000764

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	7
Topological Polar Surface Area	34.14 Å²
Heavy Atom Count	12
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.75
Log Po/w (iLOGP)	2.29
Log Po/w (XLOGP3)	2.98
Log Po/w (WLOGP)	2.86
Log Po/w (MLOGP)	1.66
Log Po/w (SILICOS-IT)	3.12
Consensus Log Po/w	2.58
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.47 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	1.97

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