![2-[(4-Methylphenyl)amino]butanedioic acid structure](/static/products/808/80862-37-9.png)
2-[(4-Methylphenyl)amino]butanedioic acid
TL;DR: 2-[(4-Methylphenyl)amino]butanedioic acid (CAS 80862-37-9) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylanilino)butanedioic acid
Also Known As: 2-(4-toluidino)succinic acid, 2-(4-methylanilino)butanedioic acid, BIM-0009558.P001, 2-[(4-METHYLPHENYL)AMINO]BUTANEDIOIC ACID
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.33482 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 385.47595 |
Chemical Identifiers
| CAS Number | 80862-37-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(CC(=O)O)C(=O)O |
Product Overview
2-[(4-Methylphenyl)amino]butanedioic acid (CAS 80862-37-9), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 2-(4-methylanilino)butanedioic acid.
Chemical Property Profile of 2-[(4-Methylphenyl)amino]butanedioic acid
Property Insights of 2-[(4-Methylphenyl)amino]butanedioic acid
The XLogP value of 1.33482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methylphenyl)amino]butanedioic acid. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methylphenyl)amino]butanedioic acid. Following Lipinski's Rule of Five, 2-[(4-Methylphenyl)amino]butanedioic acid has 3 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 2-[(4-Methylphenyl)amino]butanedioic acid?
The CAS number of 2-[(4-Methylphenyl)amino]butanedioic acid is 80862-37-9.
What is the molecular formula of 2-[(4-Methylphenyl)amino]butanedioic acid?
The molecular formula of 2-[(4-Methylphenyl)amino]butanedioic acid is C11H13NO4.
What is the molecular weight of 2-[(4-Methylphenyl)amino]butanedioic acid?
The molecular weight of 2-[(4-Methylphenyl)amino]butanedioic acid is 223.08 g/mol.
Where can I buy 2-[(4-Methylphenyl)amino]butanedioic acid?
You can request a quote for 2-[(4-Methylphenyl)amino]butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methylphenyl)amino]butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylphenyl)amino]butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.