3-Iodo-2-methylbenzoic acid
TL;DR: 3-Iodo-2-methylbenzoic acid (CAS 31009-31-1) is a chemical compound with molecular formula C8H7IO2 and molecular weight 261.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-2-methylbenzoic acid
Also Known As: 3-iodo-2-methylbenzoic acid, null, Benzoic acid, 3-iodo-2-methyl-, 3-iodo-2-methyl-benzoic Acid, 3-iodo-2-methyl benzoic acid
| Molecular Formula | C8H7IO2 |
|---|---|
| Molecular Weight | 261.95 g/mol |
| LogP | 2.29782 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.94907 |
| Heavy Atoms | 11 |
| Complexity | 294.1436 |
Chemical Identifiers
| CAS Number | 31009-31-1 |
|---|---|
| SMILES | CC1=C(C=CC=C1I)C(=O)O |
Product Overview
3-Iodo-2-methylbenzoic acid (CAS 31009-31-1), with molecular formula C8H7IO2 and molecular weight 261.95 g/mol. IUPAC: 3-iodo-2-methylbenzoic acid.
Chemical Property Profile of 3-Iodo-2-methylbenzoic acid
Property Insights of 3-Iodo-2-methylbenzoic acid
The XLogP value of 2.29782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-2-methylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Iodo-2-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodo-2-methylbenzoic acid has 1 hydrogen bond donor(s) and 1 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-Iodo-2-methylbenzoic acid?
The CAS number of 3-Iodo-2-methylbenzoic acid is 31009-31-1.
What is the molecular formula of 3-Iodo-2-methylbenzoic acid?
The molecular formula of 3-Iodo-2-methylbenzoic acid is C8H7IO2.
What is the molecular weight of 3-Iodo-2-methylbenzoic acid?
The molecular weight of 3-Iodo-2-methylbenzoic acid is 261.95 g/mol.
Where can I buy 3-Iodo-2-methylbenzoic acid?
You can request a quote for 3-Iodo-2-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-Iodo-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.