3-(溴甲基)苯甲酸
TL;DR: 3-(溴甲基)苯甲酸 (CAS 946784-20-9) 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.
3-(溴甲基)苯甲酸
3-(bromomethyl)benzoic acid
Also Known As: 3-(bromomethyl)benzoic acid, 3-Bromomethyl-benzoic acid, 3-Bromomethylbenzoic acid, 3- benzoicacid, 3-(bromomethyl)benzoicacid
| Molecular Formula | C8H7BrO2 |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.96294 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 946784-20-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CBr |
| InChIKey | FTPAHNNMUYOHOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(溴甲基)苯甲酸 (CAS 946784-20-9), with molecular formula C8H7BrO2 and molecular weight 213.96 g/mol. IUPAC: 3-(bromomethyl)benzoic acid.
Chemical Property Profile of 3-(溴甲基)苯甲酸
Property Insights of 3-(溴甲基)苯甲酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(溴甲基)苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(溴甲基)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(溴甲基)苯甲酸 has 1 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 3-(溴甲基)苯甲酸?
The CAS number of 3-(溴甲基)苯甲酸 is 946784-20-9.
What is the molecular formula of 3-(溴甲基)苯甲酸?
The molecular formula of 3-(溴甲基)苯甲酸 is C8H7BrO2.
What is the molecular weight of 3-(溴甲基)苯甲酸?
The molecular weight of 3-(溴甲基)苯甲酸 is 213.96 g/mol.
Where can I buy 3-(溴甲基)苯甲酸?
You can request a quote for 3-(溴甲基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(溴甲基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(溴甲基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.