3,5-Dibromo-2-methoxybenzoic acid
TL;DR: 3,5-Dibromo-2-methoxybenzoic acid (CAS 13130-23-9) is a chemical compound with molecular formula C8H6Br2O3 and molecular weight 307.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-methoxybenzoic acid
Also Known As: 3,5-dibromo-2-methoxybenzoic acid, 3,5-Dibromo-2-methoxybenzenecarboxylic acid, ASISCHEM B52487, art-chem-bb b025211, benzoic acid, 3,5-dibromo-2-methoxy-
| Molecular Formula | C8H6Br2O3 |
|---|---|
| Molecular Weight | 307.87 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.86838 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 13130-23-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)Br)C(=O)O |
| InChIKey | GDGFGZWIQSUSAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dibromo-2-methoxybenzoic acid (CAS 13130-23-9), with molecular formula C8H6Br2O3 and molecular weight 307.87 g/mol. IUPAC: 3,5-dibromo-2-methoxybenzoic acid.
Chemical Property Profile of 3,5-Dibromo-2-methoxybenzoic acid
Property Insights of 3,5-Dibromo-2-methoxybenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dibromo-2-methoxybenzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3,5-Dibromo-2-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-2-methoxybenzoic acid has 1 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 3,5-Dibromo-2-methoxybenzoic acid?
The CAS number of 3,5-Dibromo-2-methoxybenzoic acid is 13130-23-9.
What is the molecular formula of 3,5-Dibromo-2-methoxybenzoic acid?
The molecular formula of 3,5-Dibromo-2-methoxybenzoic acid is C8H6Br2O3.
What is the molecular weight of 3,5-Dibromo-2-methoxybenzoic acid?
The molecular weight of 3,5-Dibromo-2-methoxybenzoic acid is 307.87 g/mol.
Where can I buy 3,5-Dibromo-2-methoxybenzoic acid?
You can request a quote for 3,5-Dibromo-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.