3-Iodo-4,5-dimethoxybenzoic acid
TL;DR: 3-Iodo-4,5-dimethoxybenzoic acid (CAS 6328-22-9) is a chemical compound with molecular formula C9H9IO4 and molecular weight 307.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-4,5-dimethoxybenzoic acid
Also Known As: 3-iodo-4,5-dimethoxybenzoic acid, 5-iodoveratric acid, 3-iodo-4,5-dimethoxy-benzoic acid, 3,4-dimethoxy-5-iodobenzoic acid, RefChem:280044
| Molecular Formula | C9H9IO4 |
|---|---|
| Molecular Weight | 307.95 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.95456 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 6328-22-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C(=O)O)I)OC |
| InChIKey | YMKITVMTSMYARX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Iodo-4,5-dimethoxybenzoic acid (CAS 6328-22-9), with molecular formula C9H9IO4 and molecular weight 307.95 g/mol. IUPAC: 3-iodo-4,5-dimethoxybenzoic acid.
Chemical Property Profile of 3-Iodo-4,5-dimethoxybenzoic acid
Property Insights of 3-Iodo-4,5-dimethoxybenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-4,5-dimethoxybenzoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 3-Iodo-4,5-dimethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodo-4,5-dimethoxybenzoic acid has 1 hydrogen bond donor(s) and 4 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-4,5-dimethoxybenzoic acid?
The CAS number of 3-Iodo-4,5-dimethoxybenzoic acid is 6328-22-9.
What is the molecular formula of 3-Iodo-4,5-dimethoxybenzoic acid?
The molecular formula of 3-Iodo-4,5-dimethoxybenzoic acid is C9H9IO4.
What is the molecular weight of 3-Iodo-4,5-dimethoxybenzoic acid?
The molecular weight of 3-Iodo-4,5-dimethoxybenzoic acid is 307.95 g/mol.
Where can I buy 3-Iodo-4,5-dimethoxybenzoic acid?
You can request a quote for 3-Iodo-4,5-dimethoxybenzoic 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-4,5-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-4,5-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.