2-(Acetyloxy)-5-iodobenzoic acid
TL;DR: 2-(Acetyloxy)-5-iodobenzoic acid (CAS 1503-54-4) is a chemical compound with molecular formula C9H7IO4 and molecular weight 305.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxy-5-iodobenzoic acid
Also Known As: 2-(Acetyloxy)-5-iodobenzoic acid, 5-Iodoaspirin, O-Acetyl-5-iodosalicylic acid, 2-acetyloxy-5-iodobenzoic acid, 2-acetoxy-5-iodobenzoic acid
| Molecular Formula | C9H7IO4 |
|---|---|
| Molecular Weight | 305.94 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.9389 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 1503-54-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)I)C(=O)O |
| InChIKey | WZHXVERXLFPQCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Acetyloxy)-5-iodobenzoic acid (CAS 1503-54-4), with molecular formula C9H7IO4 and molecular weight 305.94 g/mol. IUPAC: 2-acetyloxy-5-iodobenzoic acid.
Chemical Property Profile of 2-(Acetyloxy)-5-iodobenzoic acid
Property Insights of 2-(Acetyloxy)-5-iodobenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetyloxy)-5-iodobenzoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetyloxy)-5-iodobenzoic acid. Following Lipinski's Rule of Five, 2-(Acetyloxy)-5-iodobenzoic 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 2-(Acetyloxy)-5-iodobenzoic acid?
The CAS number of 2-(Acetyloxy)-5-iodobenzoic acid is 1503-54-4.
What is the molecular formula of 2-(Acetyloxy)-5-iodobenzoic acid?
The molecular formula of 2-(Acetyloxy)-5-iodobenzoic acid is C9H7IO4.
What is the molecular weight of 2-(Acetyloxy)-5-iodobenzoic acid?
The molecular weight of 2-(Acetyloxy)-5-iodobenzoic acid is 305.94 g/mol.
Where can I buy 2-(Acetyloxy)-5-iodobenzoic acid?
You can request a quote for 2-(Acetyloxy)-5-iodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetyloxy)-5-iodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetyloxy)-5-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.