![N-[(3-methylphenyl)carbamoyl]valine structure](/static/products/133/133115-52-3.png)
N-[(3-methylphenyl)carbamoyl]valine
TL;DR: N-[(3-methylphenyl)carbamoyl]valine (CAS 133115-52-3) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid
Also Known As: N-[(3-methylphenyl)carbamoyl]valine, (RS)-N-(3-Methylphenylcarbamoyl)valine, 3-methyl-2-(3-(m-tolyl)ureido)butanoic acid, 3-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic Acid, 3-METHYL-2-({[(3-METHYLPHENYL)AMINO]CARBONYL}AMINO)BUTANOIC ACID
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 2.22572 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 443.61743 |
Chemical Identifiers
| CAS Number | 133115-52-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)NC(C(C)C)C(=O)O |
Product Overview
N-[(3-methylphenyl)carbamoyl]valine (CAS 133115-52-3), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 3-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid.
Chemical Property Profile of N-[(3-methylphenyl)carbamoyl]valine
Property Insights of N-[(3-methylphenyl)carbamoyl]valine
The XLogP value of 2.22572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-methylphenyl)carbamoyl]valine. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-methylphenyl)carbamoyl]valine. Following Lipinski's Rule of Five, N-[(3-methylphenyl)carbamoyl]valine has 3 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 N-[(3-methylphenyl)carbamoyl]valine?
The CAS number of N-[(3-methylphenyl)carbamoyl]valine is 133115-52-3.
What is the molecular formula of N-[(3-methylphenyl)carbamoyl]valine?
The molecular formula of N-[(3-methylphenyl)carbamoyl]valine is C13H18N2O3.
What is the molecular weight of N-[(3-methylphenyl)carbamoyl]valine?
The molecular weight of N-[(3-methylphenyl)carbamoyl]valine is 250.13 g/mol.
Where can I buy N-[(3-methylphenyl)carbamoyl]valine?
You can request a quote for N-[(3-methylphenyl)carbamoyl]valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-methylphenyl)carbamoyl]valine?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-methylphenyl)carbamoyl]valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.