3'-Methylphthalanilic acid
TL;DR: 3'-Methylphthalanilic acid (CAS 85-72-3) is a chemical compound with molecular formula C15H13NO3 and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methylphenyl)carbamoyl]benzoic acid
Also Known As: N-m-Tolylphthalamic acid, Tomaset, 3'-Methylphthalanilic acid, Phthalamate, DURASET
| Molecular Formula | C15H13NO3 |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.08954 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 85-72-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | AZPJXONNBLOZFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Methylphthalanilic acid (CAS 85-72-3), with molecular formula C15H13NO3 and molecular weight 255.09 g/mol. IUPAC: 2-[(3-methylphenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 3'-Methylphthalanilic acid
Property Insights of 3'-Methylphthalanilic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Methylphthalanilic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Methylphthalanilic acid. Following Lipinski's Rule of Five, 3'-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'-Methylphthalanilic acid?
The CAS number of 3'-Methylphthalanilic acid is 85-72-3.
What is the molecular formula of 3'-Methylphthalanilic acid?
The molecular formula of 3'-Methylphthalanilic acid is C15H13NO3.
What is the molecular weight of 3'-Methylphthalanilic acid?
The molecular weight of 3'-Methylphthalanilic acid is 255.09 g/mol.
Where can I buy 3'-Methylphthalanilic acid?
You can request a quote for 3'-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'-Methylphthalanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3'-Methylphthalanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.