N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid
TL;DR: N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid (CAS 77605-72-2) is a chemical compound with molecular formula C14H12ClNO3 and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-2-(hydroxymethyl)anilino]benzoic acid
Also Known As: N-3-Cl-2-HMPA, Sid 191503, 2-[3-chloro-2-(hydroxymethyl)anilino]benzoic acid, N-(3-Chloro-2-hydroxymethylphenyl)anthranilic acid, N-(2-Hydroxymethyl-3-chlorophenyl)anthranilic acid
| Molecular Formula | C14H12ClNO3 |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.05057 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 77605-72-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=C(C(=CC=C2)Cl)CO |
| InChIKey | BMLZYLYIEWXTCM-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid (CAS 77605-72-2), with molecular formula C14H12ClNO3 and molecular weight 277.05 g/mol. IUPAC: 2-[3-chloro-2-(hydroxymethyl)anilino]benzoic acid.
Chemical Property Profile of N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid
Property Insights of N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid
The XLogP value of 3.9 indicates that N-(3-chloro-2-hydroxymethylphenyl)anthranilic 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 N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid. Following Lipinski's Rule of Five, N-(3-chloro-2-hydroxymethylphenyl)anthranilic 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 N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid?
The CAS number of N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid is 77605-72-2.
What is the molecular formula of N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid?
The molecular formula of N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid is C14H12ClNO3.
What is the molecular weight of N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid?
The molecular weight of N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid is 277.05 g/mol.
Where can I buy N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid?
You can request a quote for N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.