(S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate
TL;DR: (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate (CAS 958960-98-0) is a chemical compound with molecular formula C14H19ClN2O4S and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate
Also Known As: (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate, methyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate
| Molecular Formula | C14H19ClN2O4S |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.0754 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 958960-98-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)N[C@@H](CCSC)C(=O)OC)Cl |
| InChIKey | FCDJAQXEQCFDGK-NSHDSACASA-N |
Product Overview
(S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate (CAS 958960-98-0), with molecular formula C14H19ClN2O4S and molecular weight 346.08 g/mol. IUPAC: methyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate.
Chemical Property Profile of (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate
Property Insights of (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate has 2 hydrogen bond donor(s) and 5 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)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate?
The CAS number of (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate is 958960-98-0.
What is the molecular formula of (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate?
The molecular formula of (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate is C14H19ClN2O4S.
What is the molecular weight of (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate?
The molecular weight of (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate is 346.08 g/mol.
Where can I buy (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate?
You can request a quote for (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(3-chloro-4-methoxyphenyl)ureido)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.