Methyl 1-(phenylsulfonyl)prolinate
TL;DR: Methyl 1-(phenylsulfonyl)prolinate (CAS 288154-77-8) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
Also Known As: methyl 1-(phenylsulfonyl)prolinate, TimTec1_000948, methyl1-(phenylsulfonyl)prolinate, methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate, proline, 1-(phenylsulfonyl)-, methyl ester
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 288154-77-8 |
|---|---|
| SMILES | COC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | VPZYZFCZKZOOKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-(phenylsulfonyl)prolinate (CAS 288154-77-8), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of Methyl 1-(phenylsulfonyl)prolinate
Property Insights of Methyl 1-(phenylsulfonyl)prolinate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(phenylsulfonyl)prolinate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(phenylsulfonyl)prolinate. Following Lipinski's Rule of Five, Methyl 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
Frequently Asked Questions
What is the CAS number of Methyl 1-(phenylsulfonyl)prolinate?
The CAS number of Methyl 1-(phenylsulfonyl)prolinate is 288154-77-8.
What is the molecular formula of Methyl 1-(phenylsulfonyl)prolinate?
The molecular formula of Methyl 1-(phenylsulfonyl)prolinate is C12H15NO4S.
What is the molecular weight of Methyl 1-(phenylsulfonyl)prolinate?
The molecular weight of Methyl 1-(phenylsulfonyl)prolinate is 269.07 g/mol.
Where can I buy Methyl 1-(phenylsulfonyl)prolinate?
You can request a quote for Methyl 1-(phenylsulfonyl)prolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(phenylsulfonyl)prolinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(phenylsulfonyl)prolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.