Methyl 1-phenyl-5-sulfanylideneprolinate
TL;DR: Methyl 1-phenyl-5-sulfanylideneprolinate (CAS 146500-36-9) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-phenyl-5-sulfanylidenepyrrolidine-2-carboxylate
Also Known As: Methyl 1-phenyl-5-sulfanylideneprolinate, L-Proline, 1-phenyl-5-thioxo-, methyl ester, methyl 1-phenyl-5-thioxo-2-pyrrolidinecarboxylate, L-Proline, 1-phenyl-5-thioxo-, methyl ester (9CI), Methyl 1-phenyl-5-sulfanylidene-pyrrolidine-2-carboxylate
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.1558 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 404.7396 |
Chemical Identifiers
| CAS Number | 146500-36-9 |
|---|---|
| SMILES | COC(=O)C1CCC(=S)N1C2=CC=CC=C2 |
Product Overview
Methyl 1-phenyl-5-sulfanylideneprolinate (CAS 146500-36-9), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: methyl 1-phenyl-5-sulfanylidenepyrrolidine-2-carboxylate.
Chemical Property Profile of Methyl 1-phenyl-5-sulfanylideneprolinate
Property Insights of Methyl 1-phenyl-5-sulfanylideneprolinate
The XLogP value of 2.1558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-phenyl-5-sulfanylideneprolinate. With a topological polar surface area (TPSA) of 29.54 Ų, Methyl 1-phenyl-5-sulfanylideneprolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-phenyl-5-sulfanylideneprolinate has 0 hydrogen bond donor(s) and 3 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-phenyl-5-sulfanylideneprolinate?
The CAS number of Methyl 1-phenyl-5-sulfanylideneprolinate is 146500-36-9.
What is the molecular formula of Methyl 1-phenyl-5-sulfanylideneprolinate?
The molecular formula of Methyl 1-phenyl-5-sulfanylideneprolinate is C12H13NO2S.
What is the molecular weight of Methyl 1-phenyl-5-sulfanylideneprolinate?
The molecular weight of Methyl 1-phenyl-5-sulfanylideneprolinate is 235.07 g/mol.
Where can I buy Methyl 1-phenyl-5-sulfanylideneprolinate?
You can request a quote for Methyl 1-phenyl-5-sulfanylideneprolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-phenyl-5-sulfanylideneprolinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-phenyl-5-sulfanylideneprolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.