5-Bromo-2-iodobenzoic acid
TL;DR: 5-Bromo-2-iodobenzoic acid (CAS 41833-13-0) is a chemical compound with molecular formula C7H4BrIO2 and molecular weight 325.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-iodobenzoic acid
Also Known As: 5-Bromo-2-iodobenzoic acid, 2-iodo-5-bromobenzoic acid, 5-Bromo-2-iodo-benzoic acid, Tetrazol-1-acetic acid, 5-Bromo-2-iodobenzoicacid
| Molecular Formula | C7H4BrIO2 |
|---|---|
| Molecular Weight | 325.84 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.84393 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 41833-13-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C(=O)O)I |
| InChIKey | IGBNDUKRHPTOBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-2-iodobenzoic acid (CAS 41833-13-0), with molecular formula C7H4BrIO2 and molecular weight 325.84 g/mol. IUPAC: 5-bromo-2-iodobenzoic acid.
Chemical Property Profile of 5-Bromo-2-iodobenzoic acid
Property Insights of 5-Bromo-2-iodobenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-iodobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Bromo-2-iodobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-iodobenzoic 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 5-Bromo-2-iodobenzoic acid?
The CAS number of 5-Bromo-2-iodobenzoic acid is 41833-13-0.
What is the molecular formula of 5-Bromo-2-iodobenzoic acid?
The molecular formula of 5-Bromo-2-iodobenzoic acid is C7H4BrIO2.
What is the molecular weight of 5-Bromo-2-iodobenzoic acid?
The molecular weight of 5-Bromo-2-iodobenzoic acid is 325.84 g/mol.
Where can I buy 5-Bromo-2-iodobenzoic acid?
You can request a quote for 5-Bromo-2-iodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-iodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.