3-Bromo-2,5-diiodobenzoic acid
TL;DR: 3-Bromo-2,5-diiodobenzoic acid (CAS 501009-08-1) is a chemical compound with molecular formula C7H3BrI2O2 and molecular weight 451.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,5-diiodobenzoic acid
Also Known As: 3-bromo-2,5-diiodobenzoic acid
| Molecular Formula | C7H3BrI2O2 |
|---|---|
| Molecular Weight | 451.74 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 451.7406 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 501009-08-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)I)Br)I |
| InChIKey | RTQHMWNESFXEGJ-UHFFFAOYSA-N |
Product Overview
3-Bromo-2,5-diiodobenzoic acid (CAS 501009-08-1), with molecular formula C7H3BrI2O2 and molecular weight 451.74 g/mol. IUPAC: 3-bromo-2,5-diiodobenzoic acid.
Chemical Property Profile of 3-Bromo-2,5-diiodobenzoic acid
Property Insights of 3-Bromo-2,5-diiodobenzoic acid
The XLogP value of 3.4 indicates that 3-Bromo-2,5-diiodobenzoic 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-Bromo-2,5-diiodobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2,5-diiodobenzoic 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-Bromo-2,5-diiodobenzoic acid?
The CAS number of 3-Bromo-2,5-diiodobenzoic acid is 501009-08-1.
What is the molecular formula of 3-Bromo-2,5-diiodobenzoic acid?
The molecular formula of 3-Bromo-2,5-diiodobenzoic acid is C7H3BrI2O2.
What is the molecular weight of 3-Bromo-2,5-diiodobenzoic acid?
The molecular weight of 3-Bromo-2,5-diiodobenzoic acid is 451.74 g/mol.
Where can I buy 3-Bromo-2,5-diiodobenzoic acid?
You can request a quote for 3-Bromo-2,5-diiodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2,5-diiodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,5-diiodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.