(S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate
TL;DR: (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate (CAS 958982-84-8) is a chemical compound with molecular formula C15H22N2O5S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate
Also Known As: (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate, (S)-2-[3-(2,4-Dimethoxy-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester, methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate
| Molecular Formula | C15H22N2O5S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.12 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.12494 |
| Heavy Atoms | 23 |
| Complexity | 538.5986 |
Chemical Identifiers
| CAS Number | 958982-84-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)N[C@@H](CCSC)C(=O)OC)OC |
Product Overview
(S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate (CAS 958982-84-8), with molecular formula C15H22N2O5S and molecular weight 342.12 g/mol. IUPAC: methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate.
Chemical Property Profile of (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate
Property Insights of (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate
The XLogP value of 2.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate has 2 hydrogen bond donor(s) and 6 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-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate?
The CAS number of (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate is 958982-84-8.
What is the molecular formula of (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate?
The molecular formula of (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate is C15H22N2O5S.
What is the molecular weight of (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate?
The molecular weight of (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate is 342.12 g/mol.
Where can I buy (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate?
You can request a quote for (S)-methyl 2-(3-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(2,4-dimethoxyphenyl)ureido)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.