![Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate structure](/static/products/831/83187-85-3.png)
Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate
TL;DR: Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate (CAS 83187-85-3) is a chemical compound with molecular formula C17H21NO4S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(benzenesulfonyl)-3-methyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
Also Known As: Benzenamine,3-methyl-5-propyl, ETHYL 6-(BENZENESULFONYL)-8-METHYL-7-AZABICYCLO[2.2.2]OCT-2-ENE-7-CARBOXYLATE, ethyl 8-(benzenesulfonyl)-2-methyl-3-azabicyclo[2.2.2]oct-5-, ethyl 8-(benzenesulfonyl)-2-methyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate, ETHYL 7-(BENZENESULFONYL)-3-METHYL-2-AZABICYCLO[2.2.2]OCT-5-ENE-2-CARBOXYLATE
| Molecular Formula | C17H21NO4S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.11914 |
| Heavy Atoms | 23 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 83187-85-3 |
|---|---|
| SMILES | CCOC(=O)N1C(C2CC(C1C=C2)S(=O)(=O)C3=CC=CC=C3)C |
| InChIKey | PCHHPXUIHHLYHY-UHFFFAOYSA-N |
Product Overview
Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate (CAS 83187-85-3), with molecular formula C17H21NO4S and molecular weight 335.12 g/mol. IUPAC: ethyl 7-(benzenesulfonyl)-3-methyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate.
Chemical Property Profile of Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate
Property Insights of Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-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 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate?
The CAS number of Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate is 83187-85-3.
What is the molecular formula of Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate?
The molecular formula of Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate is C17H21NO4S.
What is the molecular weight of Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate?
The molecular weight of Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate is 335.12 g/mol.
Where can I buy Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate?
You can request a quote for Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(benzenesulfonyl)-8-methyl-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.