3,5-Dibromo-4-chlorobenzoic acid
TL;DR: 3,5-Dibromo-4-chlorobenzoic acid (CAS 501009-13-8) is a chemical compound with molecular formula C7H3Br2ClO2 and molecular weight 311.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-4-chlorobenzoic acid
Also Known As: 3,5-dibromo-4-chlorobenzoic acid, 3,5-dibromo-4-chlorobenzoicacid, Empagliflozin impurity 268, Empagliflozin Impurity 140
| Molecular Formula | C7H3Br2ClO2 |
|---|---|
| Molecular Weight | 311.82 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.81882 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 501009-13-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)Cl)Br)C(=O)O |
| InChIKey | ZEFMINSOBLPVSY-UHFFFAOYSA-N |
Product Overview
3,5-Dibromo-4-chlorobenzoic acid (CAS 501009-13-8), with molecular formula C7H3Br2ClO2 and molecular weight 311.82 g/mol. IUPAC: 3,5-dibromo-4-chlorobenzoic acid.
Chemical Property Profile of 3,5-Dibromo-4-chlorobenzoic acid
Property Insights of 3,5-Dibromo-4-chlorobenzoic acid
The XLogP value of 3.5 indicates that 3,5-Dibromo-4-chlorobenzoic 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-chlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-4-chlorobenzoic 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-chlorobenzoic acid?
The CAS number of 3,5-Dibromo-4-chlorobenzoic acid is 501009-13-8.
What is the molecular formula of 3,5-Dibromo-4-chlorobenzoic acid?
The molecular formula of 3,5-Dibromo-4-chlorobenzoic acid is C7H3Br2ClO2.
What is the molecular weight of 3,5-Dibromo-4-chlorobenzoic acid?
The molecular weight of 3,5-Dibromo-4-chlorobenzoic acid is 311.82 g/mol.
Where can I buy 3,5-Dibromo-4-chlorobenzoic acid?
You can request a quote for 3,5-Dibromo-4-chlorobenzoic 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-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.