![2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one structure](/static/products/4960/496025-45-7.webp)
2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
TL;DR: 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one (CAS 496025-45-7) is a chemical compound with molecular formula C17H21N3OS2 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-1-piperidin-1-ylethanone
Also Known As: 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one, 2-(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-ylthio) )-1-piperidylethan-1-one
| Molecular Formula | C17H21N3OS2 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 3.59302 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.1126 |
| Heavy Atoms | 23 |
| Complexity | 749.8667 |
Chemical Identifiers
| CAS Number | 496025-45-7 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)N4CCCCC4 |
Product Overview
2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one (CAS 496025-45-7), with molecular formula C17H21N3OS2 and molecular weight 347.11 g/mol. IUPAC: 2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Property Insights of 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
The XLogP value of 3.59302 indicates that 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one 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 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one?
The CAS number of 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one is 496025-45-7.
What is the molecular formula of 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one?
The molecular formula of 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one is C17H21N3OS2.
What is the molecular weight of 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one?
The molecular weight of 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one is 347.11 g/mol.
Where can I buy 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one?
You can request a quote for 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.