o-Bromophenyl acetate
TL;DR: o-Bromophenyl acetate (CAS 1829-37-4) is a chemical compound with molecular formula C8H7BrO2 and molecular weight 213.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl) acetate
Also Known As: 2-BROMOPHENYL ACETATE, 2-Bromophenol acetate, o-Bromophenyl acetate, (2-bromophenyl) acetate, o-Acetoxybromobenzene
| Molecular Formula | C8H7BrO2 |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.96294 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 1829-37-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1Br |
| InChIKey | BEHBHYYPTOHUHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Bromophenyl acetate (CAS 1829-37-4), with molecular formula C8H7BrO2 and molecular weight 213.96 g/mol. IUPAC: (2-bromophenyl) acetate.
Chemical Property Profile of o-Bromophenyl acetate
Property Insights of o-Bromophenyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Bromophenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, o-Bromophenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Bromophenyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of o-Bromophenyl acetate?
The CAS number of o-Bromophenyl acetate is 1829-37-4.
What is the molecular formula of o-Bromophenyl acetate?
The molecular formula of o-Bromophenyl acetate is C8H7BrO2.
What is the molecular weight of o-Bromophenyl acetate?
The molecular weight of o-Bromophenyl acetate is 213.96 g/mol.
Where can I buy o-Bromophenyl acetate?
You can request a quote for o-Bromophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Bromophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for o-Bromophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.