3-Iodobenzoate
TL;DR: 3-Iodobenzoate (CAS 7229-06-3) is a chemical compound with molecular formula C7H4IO2- and molecular weight 246.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodobenzoate
Also Known As: 3-iodobenzoate, m-iodobenzoate, RefChem:280094
| Molecular Formula | C7H4IO2- |
|---|---|
| Molecular Weight | 246.93 g/mol |
| LogP | 0.6547 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.9256 |
| Heavy Atoms | 10 |
| Complexity | 257.53796 |
Chemical Identifiers
| CAS Number | 7229-06-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)C(=O)[O-] |
Product Overview
3-Iodobenzoate (CAS 7229-06-3), with molecular formula C7H4IO2- and molecular weight 246.93 g/mol. IUPAC: 3-iodobenzoate.
Chemical Property Profile of 3-Iodobenzoate
Property Insights of 3-Iodobenzoate
The XLogP value of 0.6547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodobenzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 3-Iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodobenzoate has 0 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-Iodobenzoate?
The CAS number of 3-Iodobenzoate is 7229-06-3.
What is the molecular formula of 3-Iodobenzoate?
The molecular formula of 3-Iodobenzoate is C7H4IO2-.
What is the molecular weight of 3-Iodobenzoate?
The molecular weight of 3-Iodobenzoate is 246.93 g/mol.
Where can I buy 3-Iodobenzoate?
You can request a quote for 3-Iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.