3-Bromoanisole
TL;DR: 3-Bromoanisole (CAS 2398-37-0) is a chemical compound with molecular formula C7H7BrO and molecular weight 185.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-methoxybenzene
Also Known As: 3-Bromoanisole, 1-BROMO-3-METHOXYBENZENE, m-Bromoanisole, 3-Methoxybromobenzene, m-Bromomethoxybenzene
| Molecular Formula | C7H7BrO |
|---|---|
| Molecular Weight | 185.97 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.96803 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| Boiling Point | 211 °C @760 [mm Hg] |
| Density | 1.49 @25 °C |
| Vapor Pressure | 0.28 [mmHg] |
Chemical Identifiers
| CAS Number | 2398-37-0 |
|---|---|
| SMILES | COC1=CC(=CC=C1)Br |
| InChIKey | PLDWAJLZAAHOGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromoanisole (CAS 2398-37-0), with molecular formula C7H7BrO and molecular weight 185.97 g/mol. IUPAC: 1-bromo-3-methoxybenzene.
Chemical Property Profile of 3-Bromoanisole
Property Insights of 3-Bromoanisole
The XLogP value of 3.0 indicates that 3-Bromoanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Bromoanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromoanisole has 0 hydrogen bond donor(s) and 1 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-Bromoanisole?
The CAS number of 3-Bromoanisole is 2398-37-0.
What is the molecular formula of 3-Bromoanisole?
The molecular formula of 3-Bromoanisole is C7H7BrO.
What is the molecular weight of 3-Bromoanisole?
The molecular weight of 3-Bromoanisole is 185.97 g/mol.
Where can I buy 3-Bromoanisole?
You can request a quote for 3-Bromoanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromoanisole?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromoanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.