Methyl 3-(methylcarbamoylsulfanyl)propanoate
TL;DR: Methyl 3-(methylcarbamoylsulfanyl)propanoate (CAS 78614-25-2) is a chemical compound with molecular formula C6H11NO3S and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(methylcarbamoylsulfanyl)propanoate
Also Known As: methyl 3-(methylcarbamoylsulfanyl)propanoate, METHYL 3-[(METHYLCARBAMOYL)SULFANYL]PROPANOATE
| Molecular Formula | C6H11NO3S |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.04596 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 78614-25-2 |
|---|---|
| SMILES | CNC(=O)SCCC(=O)OC |
| InChIKey | MGDNXEHXEMVQPE-UHFFFAOYSA-N |
Product Overview
Methyl 3-(methylcarbamoylsulfanyl)propanoate (CAS 78614-25-2), with molecular formula C6H11NO3S and molecular weight 177.05 g/mol. IUPAC: methyl 3-(methylcarbamoylsulfanyl)propanoate.
Chemical Property Profile of Methyl 3-(methylcarbamoylsulfanyl)propanoate
Property Insights of Methyl 3-(methylcarbamoylsulfanyl)propanoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(methylcarbamoylsulfanyl)propanoate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(methylcarbamoylsulfanyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(methylcarbamoylsulfanyl)propanoate has 1 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 Methyl 3-(methylcarbamoylsulfanyl)propanoate?
The CAS number of Methyl 3-(methylcarbamoylsulfanyl)propanoate is 78614-25-2.
What is the molecular formula of Methyl 3-(methylcarbamoylsulfanyl)propanoate?
The molecular formula of Methyl 3-(methylcarbamoylsulfanyl)propanoate is C6H11NO3S.
What is the molecular weight of Methyl 3-(methylcarbamoylsulfanyl)propanoate?
The molecular weight of Methyl 3-(methylcarbamoylsulfanyl)propanoate is 177.05 g/mol.
Where can I buy Methyl 3-(methylcarbamoylsulfanyl)propanoate?
You can request a quote for Methyl 3-(methylcarbamoylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(methylcarbamoylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(methylcarbamoylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.