![4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one structure](/static/products/7219/721908-07-2.webp)
4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one
TL;DR: 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one (CAS 721908-07-2) is a chemical compound with molecular formula C16H16N4OS and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one
Also Known As: 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one, 5-Mercapto-2-phenyl-2,6,7,8,9,10-hexahydro-2,3,4,5a-tetraaza-cyclohepta[e]inden-1-one, 2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one, 4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one, 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0?,?]tetradeca-1,5,7-trien-3-one
| Molecular Formula | C16H16N4OS |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.97119 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.1045 |
| Heavy Atoms | 22 |
| Complexity | 951.92163 |
Chemical Identifiers
| CAS Number | 721908-07-2 |
|---|---|
| SMILES | C1CCC2=C3C(=NC(=S)N2CC1)NN(C3=O)C4=CC=CC=C4 |
Product Overview
4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one (CAS 721908-07-2), with molecular formula C16H16N4OS and molecular weight 312.10 g/mol. IUPAC: 4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one.
Chemical Property Profile of 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one
Property Insights of 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one
The XLogP value of 2.97119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one. With a topological polar surface area (TPSA) of 55.61 Ų, 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one has 1 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 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one?
The CAS number of 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one is 721908-07-2.
What is the molecular formula of 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one?
The molecular formula of 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one is C16H16N4OS.
What is the molecular weight of 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one?
The molecular weight of 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one is 312.10 g/mol.
Where can I buy 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one?
You can request a quote for 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-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-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.