![4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate structure](/static/products/1005/1005164-15-7.webp)
4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate
TL;DR: 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate (CAS 1005164-15-7) is a chemical compound with molecular formula C21H19NO5S and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] benzenesulfonate
Also Known As: 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate, [4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] benzenesulfonate, 4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)phenyl benzenesulfonate
| Molecular Formula | C21H19NO5S |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 2.9898 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.0984 |
| Heavy Atoms | 28 |
| Complexity | 1019.9633 |
Chemical Identifiers
| CAS Number | 1005164-15-7 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5 |
Product Overview
4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate (CAS 1005164-15-7), with molecular formula C21H19NO5S and molecular weight 397.10 g/mol. IUPAC: [4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] benzenesulfonate.
Chemical Property Profile of 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate
Property Insights of 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate
The XLogP value of 2.9898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate. Following Lipinski's Rule of Five, 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate 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 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate?
The CAS number of 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate is 1005164-15-7.
What is the molecular formula of 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate?
The molecular formula of 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate is C21H19NO5S.
What is the molecular weight of 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate?
The molecular weight of 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate is 397.10 g/mol.
Where can I buy 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate?
You can request a quote for 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.