![3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one structure](/static/products/488/488857-74-5.webp)
3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one
TL;DR: 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one (CAS 488857-74-5) is a chemical compound with molecular formula C20H16BrN3OS and molecular weight 425.01974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7Z)-3-(3-bromophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one, (7Z)-3-(3-BROMOPHENYL)-7-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-2H,3H,4H,6H,7H-[1,3]THIAZOLO[3,2-A][1,3,5]TRIAZIN-6-ONE, (7Z)-3-(3-bromophenyl)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (7Z)-3-(3-bromophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one, (Z)-3-(3-bromophenyl)-7-((E)-3-phenylallylidene)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Technical Specifications
| Molecular Formula | C20H16BrN3OS |
| Molecular Weight | 425.01974 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.01974 Da |
| Heavy Atoms | 26 |
| Complexity | 627.0 |
| SMILES | C1N=C2N(CN1C3=CC(=CC=C3)Br)C(=O)/C(=C/C=C/C4=CC=CC=C4)/S2 |
| InChIKey | RAZNYWPMKHLEGI-KGTQDBRDSA-N |
Chemical Property Profile of 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one
Property Insights of 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one
The XLogP value of 5.4 indicates that 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one. Following Lipinski's Rule of Five, 3-(3-bromophenyl)-8-cinnamylidene-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one?
The CAS number of 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one is 488857-74-5.
What is the molecular formula of 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one?
The molecular formula of 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one is C20H16BrN3OS.
What is the molecular weight of 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one?
The molecular weight of 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one is 425.01974 g/mol.
Where can I buy 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one?
You can request a quote for 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-bromophenyl)-8-cinnamylidene-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one?
Yes, CoreyChem provides custom synthesis services for 3-(3-bromophenyl)-8-cinnamylidene-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.