![4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one structure](/static/products/796/796067-52-2.png)
4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
TL;DR: 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 796067-52-2) is a chemical compound with molecular formula C16H14N2OS3 and molecular weight 346.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylphenyl)-5-sulfanylidene-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 2-mercapto-3-(3-methylphenyl)-6,7-dihydro-5H-thiopyrano[3',2':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 4-(3-methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 4-(3-methylphenyl)-5-sulfanylidene-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one, 4-(3-methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.02,?]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C16H14N2OS3 |
|---|---|
| Molecular Weight | 346.03 g/mol |
| LogP | 4.45651 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.02682 |
| Heavy Atoms | 22 |
| Complexity | 996.77405 |
Chemical Identifiers
| CAS Number | 796067-52-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCS4 |
Product Overview
4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 796067-52-2), with molecular formula C16H14N2OS3 and molecular weight 346.03 g/mol. IUPAC: 4-(3-methylphenyl)-5-sulfanylidene-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Property Insights of 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
The XLogP value of 4.45651 indicates that 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-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 37.79 Ų, 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-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-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-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-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The CAS number of 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 796067-52-2.
What is the molecular formula of 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular formula of 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is C16H14N2OS3.
What is the molecular weight of 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular weight of 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 346.03 g/mol.
Where can I buy 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
You can request a quote for 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-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-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methylphenyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.