(S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid (CAS 1173667-87-2) is a chemical compound with molecular formula C12H14Cl2N2O3S and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
Also Known As: (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid, (2S)-2-[(2,5-dichlorophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid, 2-[(2,5-dichlorophenyl)carbamoylamino]-4-methylsulfanyl-butanoic Acid
| Molecular Formula | C12H14Cl2N2O3S |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 3.3212 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.01022 |
| Heavy Atoms | 20 |
| Complexity | 499.59082 |
Chemical Identifiers
| CAS Number | 1173667-87-2 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)NC1=C(C=CC(=C1)Cl)Cl |
Product Overview
(S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid (CAS 1173667-87-2), with molecular formula C12H14Cl2N2O3S and molecular weight 336.01 g/mol. IUPAC: (2S)-2-[(2,5-dichlorophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid
The XLogP value of 3.3212 indicates that (S)-2-(3-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid is 1173667-87-2.
What is the molecular formula of (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid is C12H14Cl2N2O3S.
What is the molecular weight of (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid is 336.01 g/mol.
Where can I buy (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(3-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-(2,5-dichlorophenyl)ureido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.