3-Acetyl-4-hydroxybenzoic acid
TL;DR: 3-Acetyl-4-hydroxybenzoic acid (CAS 16357-40-7) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-hydroxybenzoic acid
Also Known As: 3-acetyl-4-hydroxybenzoic acid, 3-acetyl-4-hydroxy-benzoic Acid, Benzoic acid, 3-acetyl-4-hydroxy-, 3-acetyl-4-hydroxybenzoicacid, 4-hydroxy-3-acetylbenzoic acid
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.293 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 367.8775 |
Chemical Identifiers
| CAS Number | 16357-40-7 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)C(=O)O)O |
Product Overview
3-Acetyl-4-hydroxybenzoic acid (CAS 16357-40-7), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 3-acetyl-4-hydroxybenzoic acid.
Chemical Property Profile of 3-Acetyl-4-hydroxybenzoic acid
Property Insights of 3-Acetyl-4-hydroxybenzoic acid
The XLogP value of 1.293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-4-hydroxybenzoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-4-hydroxybenzoic acid. Following Lipinski's Rule of Five, 3-Acetyl-4-hydroxybenzoic acid has 2 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 3-Acetyl-4-hydroxybenzoic acid?
The CAS number of 3-Acetyl-4-hydroxybenzoic acid is 16357-40-7.
What is the molecular formula of 3-Acetyl-4-hydroxybenzoic acid?
The molecular formula of 3-Acetyl-4-hydroxybenzoic acid is C9H8O4.
What is the molecular weight of 3-Acetyl-4-hydroxybenzoic acid?
The molecular weight of 3-Acetyl-4-hydroxybenzoic acid is 180.04 g/mol.
Where can I buy 3-Acetyl-4-hydroxybenzoic acid?
You can request a quote for 3-Acetyl-4-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-4-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-4-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.