![6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one structure](/static/products/898/898419-76-6.png)
6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one
TL;DR: 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one (CAS 898419-76-6) is a chemical compound with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylpiperidin-1-yl)sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
Also Known As: 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one, 8-((4-methylpiperidin-1-yl)sulfonyl)-5,6-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-4(2H)-one, 6-(4-methylpiperidin-1-yl)sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
| Molecular Formula | C17H22N2O3S |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 1.9425 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.1351 |
| Heavy Atoms | 23 |
| Complexity | 764.2883 |
Chemical Identifiers
| CAS Number | 898419-76-6 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3 |
Product Overview
6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one (CAS 898419-76-6), with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol. IUPAC: 6-(4-methylpiperidin-1-yl)sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
Chemical Property Profile of 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one
Property Insights of 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one
The XLogP value of 1.9425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one. With a topological polar surface area (TPSA) of 57.69 Ų, 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one has 0 hydrogen bond donor(s) and 3 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 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one?
The CAS number of 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one is 898419-76-6.
What is the molecular formula of 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one?
The molecular formula of 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one is C17H22N2O3S.
What is the molecular weight of 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one?
The molecular weight of 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one is 334.14 g/mol.
Where can I buy 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one?
You can request a quote for 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.