3-(苯氨基)-2-萘甲酸
TL;DR: 3-(苯氨基)-2-萘甲酸 (CAS 6973-58-6) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(苯氨基)-2-萘甲酸
3-anilinonaphthalene-2-carboxylic acid
Also Known As: 3-anilino-2-naphthoic acid, 2-Naphthoic acid, 3-anilino-, 3-anilinonaphthalene-2-carboxylic acid, 2-Naphthalenecarboxylic acid, 3-(phenylamino)-, 3-anilinonaphthalene-2-carboxylicacid
| Molecular Formula | C17H13NO2 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.09464 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 6973-58-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2C(=O)O |
| InChIKey | UFKXMTBPAONBSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(苯氨基)-2-萘甲酸 (CAS 6973-58-6), with molecular formula C17H13NO2 and molecular weight 263.09 g/mol. IUPAC: 3-anilinonaphthalene-2-carboxylic acid.
Chemical Property Profile of 3-(苯氨基)-2-萘甲酸
Property Insights of 3-(苯氨基)-2-萘甲酸
The XLogP value of 5.6 indicates that 3-(苯氨基)-2-萘甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 3-(苯氨基)-2-萘甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(苯氨基)-2-萘甲酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(苯氨基)-2-萘甲酸?
The CAS number of 3-(苯氨基)-2-萘甲酸 is 6973-58-6.
What is the molecular formula of 3-(苯氨基)-2-萘甲酸?
The molecular formula of 3-(苯氨基)-2-萘甲酸 is C17H13NO2.
What is the molecular weight of 3-(苯氨基)-2-萘甲酸?
The molecular weight of 3-(苯氨基)-2-萘甲酸 is 263.09 g/mol.
Where can I buy 3-(苯氨基)-2-萘甲酸?
You can request a quote for 3-(苯氨基)-2-萘甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(苯氨基)-2-萘甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(苯氨基)-2-萘甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.