Phenyl 2-bromoacetate

Cat. No.: PI620724

Product Details Other Identifiers Computed Properties

CAS	620-72-4
Synonyms	Phenyl 2-bromoacetate
Purity	97%
Molecular Formula	C8H7BrO2
Molecular Weight	215.04
Molar Refractivity	45.81

Pubchem ID	564919
InChI Key	UEWYUCGVQMZMGY-UHFFFAOYSA-N
MDL Number	MFCD00192391

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.12
Log Po/w (iLOGP)	1.96
Log Po/w (XLOGP3)	2.28
Log Po/w (WLOGP)	1.99
Log Po/w (MLOGP)	2.4
Log Po/w (SILICOS-IT)	2.23
Consensus Log Po/w	2.17
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.99 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	2.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.57

* Our products are for research use only.

Get in Touch

We’re glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description

Verification Code *