2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester
TL;DR: 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester (CAS 32820-40-9) is a chemical compound with molecular formula C7H11NO3S and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-isocyanato-4-methylsulfanylbutanoate
Also Known As: Methyl N-(oxomethylene)-L-methioninate, methyl 2-isocyanato-4-methylsulfanylbutanoate, Methyl (S)-(-)-2-Isocyanato-4-(methylthio)butyrate, 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester, methyl (2S)-2-isocyanato-4-methylsulfanyl-butanoate
| Molecular Formula | C7H11NO3S |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 0.6169 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.04596 |
| Heavy Atoms | 12 |
| Complexity | 189.09052 |
Chemical Identifiers
| CAS Number | 32820-40-9 |
|---|---|
| SMILES | COC(=O)C(CCSC)N=C=O |
Product Overview
2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester (CAS 32820-40-9), with molecular formula C7H11NO3S and molecular weight 189.05 g/mol. IUPAC: methyl 2-isocyanato-4-methylsulfanylbutanoate.
Chemical Property Profile of 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester
Property Insights of 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester
The XLogP value of 0.6169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester. With a topological polar surface area (TPSA) of 55.73 Ų, 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester has 0 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 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester?
The CAS number of 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester is 32820-40-9.
What is the molecular formula of 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester?
The molecular formula of 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester is C7H11NO3S.
What is the molecular weight of 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester?
The molecular weight of 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester is 189.05 g/mol.
Where can I buy 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester?
You can request a quote for 2-Isocyanato-4-methylsulfanyl-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 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.