3-Bromo-2-methoxybenzoate
TL;DR: 3-Bromo-2-methoxybenzoate (CAS 101084-39-3) is a chemical compound with molecular formula C8H6BrO3- and molecular weight 228.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-methoxybenzoate
Also Known As: 3-bromo-2-methoxybenzoate, 3-bromo-2-methoxybenzoicacid, 3-bromo-2-methoxybenzoic acid
| Molecular Formula | C8H6BrO3- |
|---|---|
| Molecular Weight | 228.95 g/mol |
| LogP | 0.8212 |
| Topological Polar Surface Area | 49.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.95003 |
| Heavy Atoms | 12 |
| Complexity | 309.17133 |
Chemical Identifiers
| CAS Number | 101084-39-3 |
|---|---|
| SMILES | COC1=C(C=CC=C1Br)C(=O)[O-] |
Product Overview
3-Bromo-2-methoxybenzoate (CAS 101084-39-3), with molecular formula C8H6BrO3- and molecular weight 228.95 g/mol. IUPAC: 3-bromo-2-methoxybenzoate.
Chemical Property Profile of 3-Bromo-2-methoxybenzoate
Property Insights of 3-Bromo-2-methoxybenzoate
The XLogP value of 0.8212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-methoxybenzoate. With a topological polar surface area (TPSA) of 49.36 Ų, 3-Bromo-2-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-methoxybenzoate has 0 hydrogen bond donor(s) and 3 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-Bromo-2-methoxybenzoate?
The CAS number of 3-Bromo-2-methoxybenzoate is 101084-39-3.
What is the molecular formula of 3-Bromo-2-methoxybenzoate?
The molecular formula of 3-Bromo-2-methoxybenzoate is C8H6BrO3-.
What is the molecular weight of 3-Bromo-2-methoxybenzoate?
The molecular weight of 3-Bromo-2-methoxybenzoate is 228.95 g/mol.
Where can I buy 3-Bromo-2-methoxybenzoate?
You can request a quote for 3-Bromo-2-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.