![Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate structure](/static/products/2231/22316-71-8.webp)
Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
TL;DR: Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate (CAS 22316-71-8) is a chemical compound with molecular formula C17H19NO6S and molecular weight 365.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-(benzenesulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
Also Known As: dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate, dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-, Dimethyl 3-(benzenesulfonyl)-3-azatricyclo[3.2.1.0~2,4~]octane-6,7-dicarboxylate, N-Benzolsulfonyl-3-aza-2exoH,4exoH-tricyclo<3.2.1.02.4>octan-6,7-endo-cis-dicarbonsaeuredimethylester
| Molecular Formula | C17H19NO6S |
|---|---|
| Molecular Weight | 365.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.09332 |
| Heavy Atoms | 25 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 22316-71-8 |
|---|---|
| SMILES | COC(=O)C1C2CC(C1C(=O)OC)C3C2N3S(=O)(=O)C4=CC=CC=C4 |
| InChIKey | JXWUAKPSMRTVHW-UHFFFAOYSA-N |
Product Overview
Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate (CAS 22316-71-8), with molecular formula C17H19NO6S and molecular weight 365.09 g/mol. IUPAC: dimethyl 3-(benzenesulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate.
Chemical Property Profile of Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
Property Insights of Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate?
The CAS number of Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate is 22316-71-8.
What is the molecular formula of Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate?
The molecular formula of Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate is C17H19NO6S.
What is the molecular weight of Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate?
The molecular weight of Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate is 365.09 g/mol.
Where can I buy Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate?
You can request a quote for Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-(phenylsulfonyl)-3-azatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.