8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one
TL;DR: 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one (CAS 76995-66-9) is a chemical compound with molecular formula C19H19N3OS and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one
Also Known As: 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one, 2-(4-benzylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one, 8-(4-benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo[4.3.0]nonan-7-one, 2-(4-Benzylphenyl)-3-sulfanylidenehexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one, 2-(4-benzylphenyl)-3-thioxohexahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-1-one
| Molecular Formula | C19H19N3OS |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.12488 |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 76995-66-9 |
|---|---|
| SMILES | C1CCN2C(=S)N(C(=O)N2C1)C3=CC=C(C=C3)CC4=CC=CC=C4 |
| InChIKey | ZBYPTVOGRRMNBX-UHFFFAOYSA-N |
Product Overview
8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one (CAS 76995-66-9), with molecular formula C19H19N3OS and molecular weight 337.12 g/mol. IUPAC: 2-(4-benzylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one.
Chemical Property Profile of 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one
Property Insights of 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one
The XLogP value of 4.1 indicates that 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one has 0 hydrogen bond donor(s) and 2 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 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one?
The CAS number of 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one is 76995-66-9.
What is the molecular formula of 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one?
The molecular formula of 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one is C19H19N3OS.
What is the molecular weight of 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one?
The molecular weight of 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one is 337.12 g/mol.
Where can I buy 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one?
You can request a quote for 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-Benzylphenyl)-9-sulfanylidene-1,6,8-triazabicyclo(4.3.0)nonan-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.