(S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester
TL;DR: (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester (CAS 958983-83-0) is a chemical compound with molecular formula C10H20N2O3S and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-4-methylsulfanyl-2-(propylcarbamoylamino)butanoate
Also Known As: methyl N-(propylcarbamoyl)-L-methioninate, (S)-methyl 4-(methylthio)-2-(3-propylureido)butanoate, methyl (2S)-4-methylsulfanyl-2-(propylcarbamoylamino)butanoate, (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester
| Molecular Formula | C10H20N2O3S |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 0.9903 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.11946 |
| Heavy Atoms | 16 |
| Complexity | 224.10968 |
Chemical Identifiers
| CAS Number | 958983-83-0 |
|---|---|
| SMILES | CCCNC(=O)N[C@@H](CCSC)C(=O)OC |
Product Overview
(S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester (CAS 958983-83-0), with molecular formula C10H20N2O3S and molecular weight 248.12 g/mol. IUPAC: methyl (2S)-4-methylsulfanyl-2-(propylcarbamoylamino)butanoate.
Chemical Property Profile of (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester
Property Insights of (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester
The XLogP value of 0.9903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester. Following Lipinski's Rule of Five, (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester 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
Frequently Asked Questions
What is the CAS number of (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester?
The CAS number of (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester is 958983-83-0.
What is the molecular formula of (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester?
The molecular formula of (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester is C10H20N2O3S.
What is the molecular weight of (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester?
The molecular weight of (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester is 248.12 g/mol.
Where can I buy (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester?
You can request a quote for (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-Methylsulfanyl-2-(3-propyl-ureido)-butyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.