4-Acetyloxy-3,5-diiodobenzoic acid
TL;DR: 4-Acetyloxy-3,5-diiodobenzoic acid (CAS 41072-98-4) is a chemical compound with molecular formula C9H6I2O4 and molecular weight 431.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyloxy-3,5-diiodobenzoic acid
Also Known As: 4-acetyloxy-3,5-diiodobenzoic acid, 4-(acetyloxy)-3,5-diiodobenzoic acid, 4-Acetyloxy-3,5-diiodobenzoicacid, NIOSH/DG8597550, 3,5-Diiodo-4-acetoxybenzoic acid
| Molecular Formula | C9H6I2O4 |
|---|---|
| Molecular Weight | 431.84 g/mol |
| LogP | 2.5193 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.83554 |
| Heavy Atoms | 15 |
| Complexity | 405.11566 |
Chemical Identifiers
| CAS Number | 41072-98-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1I)C(=O)O)I |
Product Overview
4-Acetyloxy-3,5-diiodobenzoic acid (CAS 41072-98-4), with molecular formula C9H6I2O4 and molecular weight 431.84 g/mol. IUPAC: 4-acetyloxy-3,5-diiodobenzoic acid.
Chemical Property Profile of 4-Acetyloxy-3,5-diiodobenzoic acid
Property Insights of 4-Acetyloxy-3,5-diiodobenzoic acid
The XLogP value of 2.5193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyloxy-3,5-diiodobenzoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyloxy-3,5-diiodobenzoic acid. Following Lipinski's Rule of Five, 4-Acetyloxy-3,5-diiodobenzoic acid has 1 hydrogen bond donor(s) and 3 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 4-Acetyloxy-3,5-diiodobenzoic acid?
The CAS number of 4-Acetyloxy-3,5-diiodobenzoic acid is 41072-98-4.
What is the molecular formula of 4-Acetyloxy-3,5-diiodobenzoic acid?
The molecular formula of 4-Acetyloxy-3,5-diiodobenzoic acid is C9H6I2O4.
What is the molecular weight of 4-Acetyloxy-3,5-diiodobenzoic acid?
The molecular weight of 4-Acetyloxy-3,5-diiodobenzoic acid is 431.84 g/mol.
Where can I buy 4-Acetyloxy-3,5-diiodobenzoic acid?
You can request a quote for 4-Acetyloxy-3,5-diiodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyloxy-3,5-diiodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyloxy-3,5-diiodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.