Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate
TL;DR: Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate (CAS 866152-75-2) 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.
ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate
Also Known As: ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate, ethyl 1-(phenylsulfonyl)-3-azetanecarboxylate, ethyl1-(benzenesulfonyl)azetidine-3-carboxylate, 3-Azetidinecarboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 0.8702 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 520.2682 |
Chemical Identifiers
| CAS Number | 866152-75-2 |
|---|---|
| SMILES | CCOC(=O)C1CN(C1)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate (CAS 866152-75-2), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate
Property Insights of Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate
The XLogP value of 0.8702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate 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 Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate?
The CAS number of Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate is 866152-75-2.
What is the molecular formula of Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate?
The molecular formula of Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate is C12H15NO4S.
What is the molecular weight of Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate?
The molecular weight of Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate is 269.07 g/mol.
Where can I buy Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate?
You can request a quote for Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(benzenesulfonyl)azetidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.