(S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate
TL;DR: (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate (CAS 956050-19-4) is a chemical compound with molecular formula C15H20N2O5S and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]benzoate
Also Known As: (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate, methyl 2-({[(2S)-1-methoxy-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamoyl}amino)benzoate, methyl 2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]benzoate, METHYL 2-[({[(1S)-1-(METHOXYCARBONYL)-3-(METHYLSULFANYL)PROPYL]AMINO}CARBONYL)AMINO]BENZOATE
| Molecular Formula | C15H20N2O5S |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 1.8894 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.10928 |
| Heavy Atoms | 23 |
| Complexity | 564.55316 |
Chemical Identifiers
| CAS Number | 956050-19-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C(=O)OC |
Product Overview
(S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate (CAS 956050-19-4), with molecular formula C15H20N2O5S and molecular weight 340.11 g/mol. IUPAC: methyl 2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]benzoate.
Chemical Property Profile of (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate
Property Insights of (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate
The XLogP value of 1.8894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate 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-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate?
The CAS number of (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate is 956050-19-4.
What is the molecular formula of (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate?
The molecular formula of (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate is C15H20N2O5S.
What is the molecular weight of (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate?
The molecular weight of (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate is 340.11 g/mol.
Where can I buy (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate?
You can request a quote for (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate 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-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(1-methoxy-4-(methylthio)-1-oxobutan-2-yl)ureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.