![8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one structure](/static/products/840/840471-62-7.png)
8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one
TL;DR: 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one (CAS 840471-62-7) is a chemical compound with molecular formula C18H14IN3OS and molecular weight 446.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7Z)-7-benzylidene-3-(4-iodophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one, (7Z)-7-benzylidene-3-(4-iodophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one, (7Z)-7-benzylidene-3-(4-iodophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (Z)-7-benzylidene-3-(4-iodophenyl)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
| Molecular Formula | C18H14IN3OS |
|---|---|
| Molecular Weight | 446.99 g/mol |
| LogP | 2.398 |
| Topological Polar Surface Area | 37.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.99023 |
| Heavy Atoms | 24 |
| Complexity | 1038.6082 |
Chemical Identifiers
| CAS Number | 840471-62-7 |
|---|---|
| SMILES | C1N=C2N(CN1C3=CC=C(C=C3)I)C(=O)/C(=C/C4=CC=CC=C4)/S2 |
Product Overview
8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one (CAS 840471-62-7), with molecular formula C18H14IN3OS and molecular weight 446.99 g/mol. IUPAC: (7Z)-7-benzylidene-3-(4-iodophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
Chemical Property Profile of 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one
Property Insights of 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one
The XLogP value of 2.398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one. With a topological polar surface area (TPSA) of 37.6 Ų, 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one has 0 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 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one?
The CAS number of 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one is 840471-62-7.
What is the molecular formula of 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one?
The molecular formula of 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one is C18H14IN3OS.
What is the molecular weight of 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one?
The molecular weight of 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one is 446.99 g/mol.
Where can I buy 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one?
You can request a quote for 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one?
Yes, KEHONG BIO provides custom synthesis services for 8-benzylidene-3-(4-iodophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.