醋氨苯酸
TL;DR: 醋氨苯酸 (CAS 556-08-1) 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.
醋氨苯酸
4-acetamidobenzoic acid
Also Known As: 4-Acetamidobenzoic acid, Acedoben, p-Acetamidobenzoic acid, Acedobene, 4-Carboxyacetanilide
| 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 | 207.0 |
| Melting Point | 256.5 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Vapor Pressure | 0.00000071 [mmHg] |
Chemical Identifiers
| CAS Number | 556-08-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | QCXJEYYXVJIFCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
醋氨苯酸 (CAS 556-08-1), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 4-acetamidobenzoic acid.
Chemical Property Profile of 醋氨苯酸
Property Insights of 醋氨苯酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 醋氨苯酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 醋氨苯酸. Following Lipinski's Rule of Five, 醋氨苯酸 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 醋氨苯酸?
The CAS number of 醋氨苯酸 is 556-08-1.
What is the molecular formula of 醋氨苯酸?
The molecular formula of 醋氨苯酸 is C9H9NO3.
What is the molecular weight of 醋氨苯酸?
The molecular weight of 醋氨苯酸 is 179.06 g/mol.
Where can I buy 醋氨苯酸?
You can request a quote for 醋氨苯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 醋氨苯酸?
Yes, KEHONG BIO provides custom synthesis services for 醋氨苯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.