2-Iodo-3,5-dimethylbenzoic acid
TL;DR: 2-Iodo-3,5-dimethylbenzoic acid (CAS 198220-36-9) is a chemical compound with molecular formula C9H9IO2 and molecular weight 275.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-3,5-dimethylbenzoic acid
Also Known As: 2-iodo-3,5-dimethylbenzoic acid, 2-Iodo-3,5-dimethylbenzoicacid, 0191AB, J2.169.991H
| Molecular Formula | C9H9IO2 |
|---|---|
| Molecular Weight | 275.96 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 | 275.96472 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 198220-36-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(=O)O)I)C |
| InChIKey | BIZQUVFMTMOTGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Iodo-3,5-dimethylbenzoic acid (CAS 198220-36-9), with molecular formula C9H9IO2 and molecular weight 275.96 g/mol. IUPAC: 2-iodo-3,5-dimethylbenzoic acid.
Chemical Property Profile of 2-Iodo-3,5-dimethylbenzoic acid
Property Insights of 2-Iodo-3,5-dimethylbenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-3,5-dimethylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Iodo-3,5-dimethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-3,5-dimethylbenzoic 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 2-Iodo-3,5-dimethylbenzoic acid?
The CAS number of 2-Iodo-3,5-dimethylbenzoic acid is 198220-36-9.
What is the molecular formula of 2-Iodo-3,5-dimethylbenzoic acid?
The molecular formula of 2-Iodo-3,5-dimethylbenzoic acid is C9H9IO2.
What is the molecular weight of 2-Iodo-3,5-dimethylbenzoic acid?
The molecular weight of 2-Iodo-3,5-dimethylbenzoic acid is 275.96 g/mol.
Where can I buy 2-Iodo-3,5-dimethylbenzoic acid?
You can request a quote for 2-Iodo-3,5-dimethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-3,5-dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-3,5-dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.