Ethyl 1-(phenylsulfonyl)prolinate
TL;DR: Ethyl 1-(phenylsulfonyl)prolinate (CAS 1094619-25-6) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
Also Known As: ethyl 1-(phenylsulfonyl)prolinate, Ethyl (phenylsulfonyl)prolinate, ethyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate, proline, 1-(phenylsulfonyl)-, ethyl ester, ethyl 1-(phenylsulfonyl)pyrrolidine-2-carboxylate
Technical Specifications
| Molecular Formula | C13H17NO4S |
| Molecular Weight | 283.08783 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.08783 Da |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
| SMILES | CCOC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | GYFAOBVTZVAIFI-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-(phenylsulfonyl)prolinate
Property Insights of Ethyl 1-(phenylsulfonyl)prolinate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(phenylsulfonyl)prolinate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(phenylsulfonyl)prolinate. Following Lipinski's Rule of Five, Ethyl 1-(phenylsulfonyl)prolinate 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
What is the CAS number of Ethyl 1-(phenylsulfonyl)prolinate?
The CAS number of Ethyl 1-(phenylsulfonyl)prolinate is 1094619-25-6.
What is the molecular formula of Ethyl 1-(phenylsulfonyl)prolinate?
The molecular formula of Ethyl 1-(phenylsulfonyl)prolinate is C13H17NO4S.
What is the molecular weight of Ethyl 1-(phenylsulfonyl)prolinate?
The molecular weight of Ethyl 1-(phenylsulfonyl)prolinate is 283.08783 g/mol.
Where can I buy Ethyl 1-(phenylsulfonyl)prolinate?
You can request a quote for Ethyl 1-(phenylsulfonyl)prolinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-(phenylsulfonyl)prolinate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-(phenylsulfonyl)prolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.