(S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate
TL;DR: (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate (CAS 1173670-10-4) is a chemical compound with molecular formula C14H19ClN2O3S and molecular weight 330.0805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[(4-chlorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate
Also Known As: (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate, methyl (2S)-2-[(4-chlorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate
Technical Specifications
| Molecular Formula | C14H19ClN2O3S |
| Molecular Weight | 330.0805 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.0805 Da |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
| SMILES | COC(=O)[C@H](CCSC)NC(=O)NCC1=CC=C(C=C1)Cl |
| InChIKey | CXXKQEZYAMJJRE-LBPRGKRZSA-N |
Chemical Property Profile of (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate
Property Insights of (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate?
The CAS number of (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate is 1173670-10-4.
What is the molecular formula of (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate?
The molecular formula of (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate is C14H19ClN2O3S.
What is the molecular weight of (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate?
The molecular weight of (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate is 330.0805 g/mol.
Where can I buy (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate?
You can request a quote for (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 2-(3-(4-chlorobenzyl)ureido)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.