3'-Methylglutaranilic acid
TL;DR: 3'-Methylglutaranilic acid (CAS 7153-15-3) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methylanilino)-5-oxopentanoic acid
Also Known As: 3'-methylglutaranilic acid, CBKinase1_000295, CBKinase1_012695, 5-[(3-methylphenyl)amino]-5-oxopentanoic acid, 4-m-Tolylcarbamoyl-butyric acid
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 7153-15-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CCCC(=O)O |
| InChIKey | MPKHVCFQBHNIHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Methylglutaranilic acid (CAS 7153-15-3), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 5-(3-methylanilino)-5-oxopentanoic acid.
Chemical Property Profile of 3'-Methylglutaranilic acid
Property Insights of 3'-Methylglutaranilic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Methylglutaranilic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Methylglutaranilic acid. Following Lipinski's Rule of Five, 3'-Methylglutaranilic 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'-Methylglutaranilic acid?
The CAS number of 3'-Methylglutaranilic acid is 7153-15-3.
What is the molecular formula of 3'-Methylglutaranilic acid?
The molecular formula of 3'-Methylglutaranilic acid is C12H15NO3.
What is the molecular weight of 3'-Methylglutaranilic acid?
The molecular weight of 3'-Methylglutaranilic acid is 221.11 g/mol.
Where can I buy 3'-Methylglutaranilic acid?
You can request a quote for 3'-Methylglutaranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Methylglutaranilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3'-Methylglutaranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.