![4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid structure](/static/products/7632/76322-07-1.webp)
4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid
TL;DR: 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid (CAS 76322-07-1) is a chemical compound with molecular formula C18H15NO3 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-hydroxynaphthalen-1-yl)methylamino]benzoic acid
Also Known As: 2,6-dimethoxy-4-methyl-phenol, 4-{[(2-hydroxynaphthalen-1-yl)methyl]amino}benzoic acid, 4-(((2-Hydroxynaphthalen-1-yl)methyl)amino)benzoic acid, 4-[(2-hydroxynaphthalen-1-yl)methylamino]benzoic acid
| Molecular Formula | C18H15NO3 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.1052 |
| Heavy Atoms | 22 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 76322-07-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2CNC3=CC=C(C=C3)C(=O)O)O |
| InChIKey | YDAPCHXTJWRWQI-UHFFFAOYSA-N |
Product Overview
4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid (CAS 76322-07-1), with molecular formula C18H15NO3 and molecular weight 293.11 g/mol. IUPAC: 4-[(2-hydroxynaphthalen-1-yl)methylamino]benzoic acid.
Chemical Property Profile of 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid
Property Insights of 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid
The XLogP value of 3.8 indicates that 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid has 3 hydrogen bond donor(s) and 4 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 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid?
The CAS number of 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid is 76322-07-1.
What is the molecular formula of 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid?
The molecular formula of 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid is C18H15NO3.
What is the molecular weight of 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid?
The molecular weight of 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid is 293.11 g/mol.
Where can I buy 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid?
You can request a quote for 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2-Hydroxynaphthalen-1-yl)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.