2,4-Dimethylhippuric acid
TL;DR: 2,4-Dimethylhippuric acid (CAS 41859-41-0) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dimethylbenzoyl)amino]acetic acid
Also Known As: 2,4-Dimethylhippuric acid, 2,4-Dimethylhippursaeure, [ AMINO]ACETICACID, 2,4-dimethyl-hippuric acid, 2-[(2,4-dimethylbenzoyl)amino]acetic acid
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 41859-41-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NCC(=O)O)C |
| InChIKey | PODYKKYFYIONLT-UHFFFAOYSA-N |
Product Overview
2,4-Dimethylhippuric acid (CAS 41859-41-0), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 2-[(2,4-dimethylbenzoyl)amino]acetic acid.
Chemical Property Profile of 2,4-Dimethylhippuric acid
Property Insights of 2,4-Dimethylhippuric acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylhippuric acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethylhippuric acid. Following Lipinski's Rule of Five, 2,4-Dimethylhippuric 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 2,4-Dimethylhippuric acid?
The CAS number of 2,4-Dimethylhippuric acid is 41859-41-0.
What is the molecular formula of 2,4-Dimethylhippuric acid?
The molecular formula of 2,4-Dimethylhippuric acid is C11H13NO3.
What is the molecular weight of 2,4-Dimethylhippuric acid?
The molecular weight of 2,4-Dimethylhippuric acid is 207.09 g/mol.
Where can I buy 2,4-Dimethylhippuric acid?
You can request a quote for 2,4-Dimethylhippuric 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-Dimethylhippuric acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylhippuric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.