3-乙酰氨基苯甲酸
TL;DR: 3-乙酰氨基苯甲酸 (CAS 587-48-4) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙酰氨基苯甲酸
3-acetamidobenzoic acid
Also Known As: 3-Acetamidobenzoic acid, 3-(Acetylamino)benzoic acid, 3-acetylaminobenzoic acid, m-Acetylaminobenzoic acid, Benzoic acid, 3-(acetylamino)-
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 587-48-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C(=O)O |
| InChIKey | RGDPZMQZWZMONQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙酰氨基苯甲酸 (CAS 587-48-4), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 3-acetamidobenzoic acid.
Chemical Property Profile of 3-乙酰氨基苯甲酸
Property Insights of 3-乙酰氨基苯甲酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙酰氨基苯甲酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-乙酰氨基苯甲酸. Following Lipinski's Rule of Five, 3-乙酰氨基苯甲酸 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-乙酰氨基苯甲酸?
The CAS number of 3-乙酰氨基苯甲酸 is 587-48-4.
What is the molecular formula of 3-乙酰氨基苯甲酸?
The molecular formula of 3-乙酰氨基苯甲酸 is C9H9NO3.
What is the molecular weight of 3-乙酰氨基苯甲酸?
The molecular weight of 3-乙酰氨基苯甲酸 is 179.06 g/mol.
Where can I buy 3-乙酰氨基苯甲酸?
You can request a quote for 3-乙酰氨基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙酰氨基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙酰氨基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.