Ethyl 5-bromovalerate

Name: Ethyl 5-bromovalerate
SKU: PI14660527
Rating: 5 (1 reviews)

Catalog NumberPI14660527

CAS Number14660-52-7

CategoryImmunological Agents Intermediates

Product Details

Purity	98%
Molecular Formula	C7H13BrO2
Linear Formula	C4H8O2C2H3BrCH2
Molecular Weight	209.08
Molar Refractivity	44.92

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Other Identifiers

Pubchem ID	84580
InChI Key	AFRWBGJRWRHQOV-UHFFFAOYSA-N
MDL Number	MFCD00000266

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	2.22
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.86
Ghose	None
GI Absorption	High
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.03 cm/s
Log Po/w (iLOGP)	2.57
Log Po/w (MLOGP)	2.12
Log Po/w (SILICOS-IT)	2.14
Log Po/w (WLOGP)	2.11
Log Po/w (XLOGP3)	2.17
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	6
Synthetic Accessibility	2.25
Topological Polar Surface Area	26.3 Å²
Veber	0.0

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