3'-Chloro-4'-methylphthalanilic acid
TL;DR: 3'-Chloro-4'-methylphthalanilic acid (CAS 19368-34-4) is a chemical compound with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-4-methylphenyl)carbamoyl]benzoic acid
Also Known As: 2-[(3-chloro-4-methylphenyl)carbamoyl]benzoic acid, 3'-Chloro-4'-methylphthalanilic acid, 2-((3-Chloro-4-methylphenyl)carbamoyl)benzoic acid, 2-[(3-chloro-4-methyl-phenyl)carbamoyl]benzoic acid, 2-((3-Chloro-4-methylphenyl)carbamoyl)benzoicacid
| Molecular Formula | C15H12ClNO3 |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.05057 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 19368-34-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)Cl |
| InChIKey | KOYNWVOKPNESLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Chloro-4'-methylphthalanilic acid (CAS 19368-34-4), with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol. IUPAC: 2-[(3-chloro-4-methylphenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 3'-Chloro-4'-methylphthalanilic acid
Property Insights of 3'-Chloro-4'-methylphthalanilic acid
The XLogP value of 3.3 indicates that 3'-Chloro-4'-methylphthalanilic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Chloro-4'-methylphthalanilic acid. Following Lipinski's Rule of Five, 3'-Chloro-4'-methylphthalanilic acid 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'-Chloro-4'-methylphthalanilic acid?
The CAS number of 3'-Chloro-4'-methylphthalanilic acid is 19368-34-4.
What is the molecular formula of 3'-Chloro-4'-methylphthalanilic acid?
The molecular formula of 3'-Chloro-4'-methylphthalanilic acid is C15H12ClNO3.
What is the molecular weight of 3'-Chloro-4'-methylphthalanilic acid?
The molecular weight of 3'-Chloro-4'-methylphthalanilic acid is 289.05 g/mol.
Where can I buy 3'-Chloro-4'-methylphthalanilic acid?
You can request a quote for 3'-Chloro-4'-methylphthalanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Chloro-4'-methylphthalanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3'-Chloro-4'-methylphthalanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.