3,5-Dibromo-4-methylbenzoic acid
TL;DR: 3,5-Dibromo-4-methylbenzoic acid (CAS 67973-32-4) is a chemical compound with molecular formula C8H6Br2O2 and molecular weight 291.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-4-methylbenzoic acid
Also Known As: 3,5-dibromo-4-methylbenzoic acid, 3,5-Dibromo-p-toluic acid, 3,5-dibromo-4-methyl-benzoic Acid, 3,5-Dibromo-4-methylbenzoicacid, Benzoic acid, 3,5-dibromo-4-methyl-
| Molecular Formula | C8H6Br2O2 |
|---|---|
| Molecular Weight | 291.87 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.87344 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 67973-32-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1Br)C(=O)O)Br |
| InChIKey | SJCBUASMFSRONS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dibromo-4-methylbenzoic acid (CAS 67973-32-4), with molecular formula C8H6Br2O2 and molecular weight 291.87 g/mol. IUPAC: 3,5-dibromo-4-methylbenzoic acid.
Chemical Property Profile of 3,5-Dibromo-4-methylbenzoic acid
Property Insights of 3,5-Dibromo-4-methylbenzoic acid
The XLogP value of 3.2 indicates that 3,5-Dibromo-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Dibromo-4-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-4-methylbenzoic acid 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 3,5-Dibromo-4-methylbenzoic acid?
The CAS number of 3,5-Dibromo-4-methylbenzoic acid is 67973-32-4.
What is the molecular formula of 3,5-Dibromo-4-methylbenzoic acid?
The molecular formula of 3,5-Dibromo-4-methylbenzoic acid is C8H6Br2O2.
What is the molecular weight of 3,5-Dibromo-4-methylbenzoic acid?
The molecular weight of 3,5-Dibromo-4-methylbenzoic acid is 291.87 g/mol.
Where can I buy 3,5-Dibromo-4-methylbenzoic acid?
You can request a quote for 3,5-Dibromo-4-methylbenzoic 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-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.