![Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate structure](/static/products/972/97293-62-4.png)
Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate
TL;DR: Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate (CAS 97293-62-4) is a chemical compound with molecular formula C11H19NO3S and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
Also Known As: Captopril, dimethyl, Captopril di-methyl derivative, Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate, methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate, L-Proline,1-[2-methyl-3-(methylthio)-1-oxopropyl]-, methyl ester, (S)-
| Molecular Formula | C11H19NO3S |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.10857 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 97293-62-4 |
|---|---|
| SMILES | CC(CSC)C(=O)N1CCCC1C(=O)OC |
| InChIKey | QIDHYXZIKNWIKJ-UHFFFAOYSA-N |
Product Overview
Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate (CAS 97293-62-4), with molecular formula C11H19NO3S and molecular weight 245.11 g/mol. IUPAC: methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate
Property Insights of Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate has 0 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 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate?
The CAS number of Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate is 97293-62-4.
What is the molecular formula of Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate?
The molecular formula of Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate is C11H19NO3S.
What is the molecular weight of Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate?
The molecular weight of Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate is 245.11 g/mol.
Where can I buy Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate?
You can request a quote for Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.