![4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one structure](/static/products/3097/309741-47-7.webp)
4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one
TL;DR: 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one (CAS 309741-47-7) is a chemical compound with molecular formula C18H18N2O2S2 and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one
Also Known As: 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one, 2-Mercapto-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one, 2-Mercapto-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-(4-METHOXYPHENYL)-2-THIOXO-1,2,3,5,6,7,8,9-OCTAHYDRO-4H-CYCLOHEPTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 3-(4-methoxyphenyl)-2-sulfanyl-3,5,6,7,8,9-hexahydrocyclohepta[2,1-d]pyrimidin o[4,5-b]thiophen-4-one
| Molecular Formula | C18H18N2O2S2 |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 4.38729 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.08096 |
| Heavy Atoms | 24 |
| Complexity | 1012.4053 |
Chemical Identifiers
| CAS Number | 309741-47-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCCC4 |
Product Overview
4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one (CAS 309741-47-7), with molecular formula C18H18N2O2S2 and molecular weight 358.08 g/mol. IUPAC: 4-(4-methoxyphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one
Property Insights of 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one
The XLogP value of 4.38729 indicates that 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-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 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one?
The CAS number of 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one is 309741-47-7.
What is the molecular formula of 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one?
The molecular formula of 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one is C18H18N2O2S2.
What is the molecular weight of 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one?
The molecular weight of 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one is 358.08 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one?
You can request a quote for 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.