![(S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid structure](/static/products/958/958946-83-3.png)
(S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid
TL;DR: (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid (CAS 958946-83-3) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
Also Known As: N-[(2,4-dimethylphenyl)carbamoyl]-L-leucine, (S)-2-(3-(2,4-dimethylphenyl)ureido)-4-methylpentanoic acid, 2-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-pentanoic Acid, (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid, (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid
| Molecular Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | 2.92424 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.16306 |
| Heavy Atoms | 20 |
| Complexity | 497.89203 |
Chemical Identifiers
| CAS Number | 958946-83-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)N[C@@H](CC(C)C)C(=O)O)C |
Product Overview
(S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid (CAS 958946-83-3), with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol. IUPAC: (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid.
Chemical Property Profile of (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid
Property Insights of (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid
The XLogP value of 2.92424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid. Following Lipinski's Rule of Five, (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid 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 (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid?
The CAS number of (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid is 958946-83-3.
What is the molecular formula of (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid?
The molecular formula of (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid is C15H22N2O3.
What is the molecular weight of (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid?
The molecular weight of (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid is 278.16 g/mol.
Where can I buy (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid?
You can request a quote for (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-[3-(2,4-Dimethyl-phenyl)-ureido]-4-methyl-pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.