3-氨基苯甲酸
TL;DR: 3-氨基苯甲酸 (CAS 99-05-8) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基苯甲酸
3-aminobenzoic acid
Also Known As: 3-AMINOBENZOIC ACID, m-Aminobenzoic acid, m-Carboxyaniline, 3-Carboxyaniline, gabaculine
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
| Melting Point | 173 °C |
| Solubility | 5.9 mg/mL at 15 °C |
| Vapor Pressure | 0.000278 [mmHg] |
Chemical Identifiers
| CAS Number | 99-05-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)C(=O)O |
| InChIKey | XFDUHJPVQKIXHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基苯甲酸 (CAS 99-05-8), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: 3-aminobenzoic acid.
Chemical Property Profile of 3-氨基苯甲酸
Property Insights of 3-氨基苯甲酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基苯甲酸. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基苯甲酸. Following Lipinski's Rule of Five, 3-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-氨基苯甲酸?
The CAS number of 3-氨基苯甲酸 is 99-05-8.
What is the molecular formula of 3-氨基苯甲酸?
The molecular formula of 3-氨基苯甲酸 is C7H7NO2.
What is the molecular weight of 3-氨基苯甲酸?
The molecular weight of 3-氨基苯甲酸 is 137.05 g/mol.
Where can I buy 3-氨基苯甲酸?
You can request a quote for 3-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-氨基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.