(S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate
TL;DR: (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate (CAS 956686-28-5) is a chemical compound with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-4-methylsulfanyl-2-[(2-oxochromen-6-yl)carbamoylamino]butanoate
Also Known As: (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate, methyl N-[(2-oxo-2H-chromen-6-yl)carbamoyl]-L-methioninate, methyl (2S)-4-methylsulfanyl-2-[(2-oxochromen-6-yl)carbamoylamino]butanoate
| Molecular Formula | C16H18N2O5S |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 2.2092 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.09363 |
| Heavy Atoms | 24 |
| Complexity | 789.3766 |
Chemical Identifiers
| CAS Number | 956686-28-5 |
|---|---|
| SMILES | COC(=O)[C@H](CCSC)NC(=O)NC1=CC2=C(C=C1)OC(=O)C=C2 |
Product Overview
(S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate (CAS 956686-28-5), with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol. IUPAC: methyl (2S)-4-methylsulfanyl-2-[(2-oxochromen-6-yl)carbamoylamino]butanoate.
Chemical Property Profile of (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate
Property Insights of (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate
The XLogP value of 2.2092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate. Following Lipinski's Rule of Five, (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)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 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate?
The CAS number of (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate is 956686-28-5.
What is the molecular formula of (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate?
The molecular formula of (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate is C16H18N2O5S.
What is the molecular weight of (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate?
The molecular weight of (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate is 350.09 g/mol.
Where can I buy (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate?
You can request a quote for (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)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 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 4-(methylthio)-2-(3-(2-oxo-2H-chromen-6-yl)ureido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.