![Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate structure](/static/products/866/866152-80-9.png)
Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate
TL;DR: Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate (CAS 866152-80-9) is a chemical compound with molecular formula C12H13ClN2O6S and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(5-chloro-2-nitrophenyl)sulfonylazetidine-3-carboxylate
Also Known As: ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate, ethyl 1-(5-chloro-2-nitrophenyl)sulfonylazetidine-3-carboxylate, ethyl 1-(5-chloro-2-nitrobenzenesulfonyl)azetidine-3-carboxylate, ethyl1-(5-chloro-2-nitrobenzenesulfonyl)azetidine-3-carboxylate
| Molecular Formula | C12H13ClN2O6S |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 1.4318 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.01828 |
| Heavy Atoms | 22 |
| Complexity | 714.3267 |
Chemical Identifiers
| CAS Number | 866152-80-9 |
|---|---|
| SMILES | CCOC(=O)C1CN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] |
Product Overview
Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate (CAS 866152-80-9), with molecular formula C12H13ClN2O6S and molecular weight 348.02 g/mol. IUPAC: ethyl 1-(5-chloro-2-nitrophenyl)sulfonylazetidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate
Property Insights of Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate
The XLogP value of 1.4318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate. Following Lipinski's Rule of Five, Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate has 0 hydrogen bond donor(s) and 6 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-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate?
The CAS number of Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate is 866152-80-9.
What is the molecular formula of Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate?
The molecular formula of Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate is C12H13ClN2O6S.
What is the molecular weight of Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate?
The molecular weight of Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate is 348.02 g/mol.
Where can I buy Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate?
You can request a quote for Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(5-chloro-2-nitrophenyl)sulfonyl]-3-azetanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.