Chloromethyl isopropyl carbonate

Name: Chloromethyl isopropyl carbonate
SKU: PI35180019
Rating: 5 (1 reviews)

Catalog NumberPI35180019

CAS Number35180-01-9

CategoryCardiovascular Agents Intermediates

Product Details

Purity	98%
Molecular Formula	C5H9ClO3
Molecular Weight	152.58
Molar Refractivity	33.7

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Other Identifiers

Pubchem ID	14787051
InChI Key	JHYNXXBAHWPABC-UHFFFAOYSA-N
MDL Number	MFCD07375443

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	1.52
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.8
Ghose	None
GI Absorption	High
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.8 cm/s
Log Po/w (iLOGP)	2.22
Log Po/w (MLOGP)	0.8
Log Po/w (SILICOS-IT)	0.8
Log Po/w (WLOGP)	1.74
Log Po/w (XLOGP3)	2.01
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	2.26
Topological Polar Surface Area	35.53 Å²
Veber	0.0

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