(S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid (CAS 1173677-75-2) is a chemical compound with molecular formula C15H22N2O3S and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid
Also Known As: (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid, (2S)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid, 4-methylsulfanyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic Acid
| Molecular Formula | C15H22N2O3S |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 3.1378 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.1351 |
| Heavy Atoms | 21 |
| Complexity | 474.312 |
Chemical Identifiers
| CAS Number | 1173677-75-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)N[C@@H](CCSC)C(=O)O |
Product Overview
(S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid (CAS 1173677-75-2), with molecular formula C15H22N2O3S and molecular weight 310.14 g/mol. IUPAC: (2S)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid.
Chemical Property Profile of (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid
The XLogP value of 3.1378 indicates that (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic 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 (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid is 1173677-75-2.
What is the molecular formula of (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid is C15H22N2O3S.
What is the molecular weight of (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid is 310.14 g/mol.
Where can I buy (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic 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-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-(4-isopropylphenyl)ureido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.