![11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one structure](/static/products/5886/588680-19-7.webp)
11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one
TL;DR: 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one (CAS 588680-19-7) is a chemical compound with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(oxolan-2-ylmethyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
Also Known As: 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one, 2-mercapto-3-(tetrahydrofuran-2-ylmethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 11-[(oxolan-2-yl)methyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one, 11-(oxolan-2-ylmethyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one, 11-[(oxolan-2-yl)methyl]-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C14H16N2O2S2 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 2.78829 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.0653 |
| Heavy Atoms | 20 |
| Complexity | 780.7934 |
Chemical Identifiers
| CAS Number | 588680-19-7 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=O)C3=C(NC2=S)SC4=C3CCC4 |
Product Overview
11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one (CAS 588680-19-7), with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol. IUPAC: 11-(oxolan-2-ylmethyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one.
Chemical Property Profile of 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one
Property Insights of 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one
The XLogP value of 2.78829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one. With a topological polar surface area (TPSA) of 47.02 Ų, 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one has 1 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 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
The CAS number of 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is 588680-19-7.
What is the molecular formula of 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
The molecular formula of 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is C14H16N2O2S2.
What is the molecular weight of 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
The molecular weight of 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one is 308.07 g/mol.
Where can I buy 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
You can request a quote for 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one?
Yes, KEHONG BIO provides custom synthesis services for 11-(Oxolan-2-ylmethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.