![2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one structure](/static/products/7066/7066-99-1.webp)
2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 7066-99-1) is a chemical compound with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hexoxyphenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(4-hexoxyphenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
| Molecular Formula | C23H22N4O4S |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 4.233 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.13617 |
| Heavy Atoms | 32 |
| Complexity | 1344.8341 |
Chemical Identifiers
| CAS Number | 7066-99-1 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])SC3=N2 |
Product Overview
2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 7066-99-1), with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol. IUPAC: 2-(4-hexoxyphenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 4.233 indicates that 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 0 hydrogen bond donor(s) and 7 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 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 7066-99-1.
What is the molecular formula of 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C23H22N4O4S.
What is the molecular weight of 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 450.14 g/mol.
Where can I buy 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Hexyloxy)phenyl]-5-[(3-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.