methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate
TL;DR: methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate (CAS 1315053-82-7) 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 (2R)-2-isocyanato-4-methylsulfanylbutanoate
Also Known As: methyl (2R)-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 | 1315053-82-7 |
|---|---|
| SMILES | COC(=O)[C@@H](CCSC)N=C=O |
Product Overview
methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate (CAS 1315053-82-7), with molecular formula C7H11NO3S and molecular weight 189.05 g/mol. IUPAC: methyl (2R)-2-isocyanato-4-methylsulfanylbutanoate.
Chemical Property Profile of methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate
Property Insights of methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate
The XLogP value of 0.6169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate. With a topological polar surface area (TPSA) of 55.73 Ų, methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate 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 methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate?
The CAS number of methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate is 1315053-82-7.
What is the molecular formula of methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate?
The molecular formula of methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate is C7H11NO3S.
What is the molecular weight of methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate?
The molecular weight of methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate is 189.05 g/mol.
Where can I buy methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate?
You can request a quote for methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2R)-2-isocyanato-4-(methylsulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.