4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid
TL;DR: 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid (CAS 201137-73-7) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,6-dimethylanilino)-5-oxopentanoic acid
Also Known As: 4-[(2,6-dimethylphenyl)carbamoyl]butanoic acid, 5-(2,6-dimethylanilino)-5-oxopentanoic acid, N-(2,6-XYLYL)GLUTARAMIC ACID, 5-(2,6-dimethylanilino)-5-oxo-pentanoic acid, 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.49684 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 406.4228 |
Chemical Identifiers
| CAS Number | 201137-73-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)O |
Product Overview
4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid (CAS 201137-73-7), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: 5-(2,6-dimethylanilino)-5-oxopentanoic acid.
Chemical Property Profile of 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid
Property Insights of 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid
The XLogP value of 2.49684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid. Following Lipinski's Rule of Five, 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid has 2 hydrogen bond donor(s) and 2 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 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid?
The CAS number of 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid is 201137-73-7.
What is the molecular formula of 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid?
The molecular formula of 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid is C13H17NO3.
What is the molecular weight of 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid?
The molecular weight of 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid is 235.12 g/mol.
Where can I buy 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid?
You can request a quote for 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,6-Dimethylphenyl)carbamoyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.