2-(Acetyloxy)-5-chlorobenzoic acid
TL;DR: 2-(Acetyloxy)-5-chlorobenzoic acid (CAS 1734-62-9) is a chemical compound with molecular formula C9H7ClO4 and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxy-5-chlorobenzoic acid
Also Known As: 2-(acetyloxy)-5-chlorobenzoic acid, 2-acetyloxy-5-chlorobenzoic acid, 2-Acetoxy-5-chlorobenzoic acid, Maybridge3_003689, 5-chloro-2-acetoxybenzoic acid
| Molecular Formula | C9H7ClO4 |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 1.9635 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.00328 |
| Heavy Atoms | 14 |
| Complexity | 386.39838 |
Chemical Identifiers
| CAS Number | 1734-62-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)Cl)C(=O)O |
Product Overview
2-(Acetyloxy)-5-chlorobenzoic acid (CAS 1734-62-9), with molecular formula C9H7ClO4 and molecular weight 214.00 g/mol. IUPAC: 2-acetyloxy-5-chlorobenzoic acid.
Chemical Property Profile of 2-(Acetyloxy)-5-chlorobenzoic acid
Property Insights of 2-(Acetyloxy)-5-chlorobenzoic acid
The XLogP value of 1.9635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetyloxy)-5-chlorobenzoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetyloxy)-5-chlorobenzoic acid. Following Lipinski's Rule of Five, 2-(Acetyloxy)-5-chlorobenzoic 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 2-(Acetyloxy)-5-chlorobenzoic acid?
The CAS number of 2-(Acetyloxy)-5-chlorobenzoic acid is 1734-62-9.
What is the molecular formula of 2-(Acetyloxy)-5-chlorobenzoic acid?
The molecular formula of 2-(Acetyloxy)-5-chlorobenzoic acid is C9H7ClO4.
What is the molecular weight of 2-(Acetyloxy)-5-chlorobenzoic acid?
The molecular weight of 2-(Acetyloxy)-5-chlorobenzoic acid is 214.00 g/mol.
Where can I buy 2-(Acetyloxy)-5-chlorobenzoic acid?
You can request a quote for 2-(Acetyloxy)-5-chlorobenzoic 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-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetyloxy)-5-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.