Benzoic acid, 3,4-diiodo-
TL;DR: Benzoic acid, 3,4-diiodo- (CAS 40431-54-7) is a chemical compound with molecular formula C7H4I2O2 and molecular weight 373.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diiodobenzoic acid
Also Known As: 3,4-Diiodobenzoic acid, Benzoic acid, 3,4-diiodo-, 3,4-Diiodobenzoicacid, 3,5-Diiodobenzoic acid, Benzoic acid,3,4-diiodo-
| Molecular Formula | C7H4I2O2 |
|---|---|
| Molecular Weight | 373.83 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 373.83008 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 40431-54-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)I)I |
| InChIKey | DFYULHRIYLAUJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3,4-diiodo- (CAS 40431-54-7), with molecular formula C7H4I2O2 and molecular weight 373.83 g/mol. IUPAC: 3,4-diiodobenzoic acid.
Chemical Property Profile of Benzoic acid, 3,4-diiodo-
Property Insights of Benzoic acid, 3,4-diiodo-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,4-diiodo-. With a topological polar surface area (TPSA) of 37.3 Ų, Benzoic acid, 3,4-diiodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,4-diiodo- 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 Benzoic acid, 3,4-diiodo-?
The CAS number of Benzoic acid, 3,4-diiodo- is 40431-54-7.
What is the molecular formula of Benzoic acid, 3,4-diiodo-?
The molecular formula of Benzoic acid, 3,4-diiodo- is C7H4I2O2.
What is the molecular weight of Benzoic acid, 3,4-diiodo-?
The molecular weight of Benzoic acid, 3,4-diiodo- is 373.83 g/mol.
Where can I buy Benzoic acid, 3,4-diiodo-?
You can request a quote for Benzoic acid, 3,4-diiodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4-diiodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4-diiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.