RefChem:404526
TL;DR: RefChem:404526 (CAS 606958-14-9) is a chemical compound with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-(4-butoxyphenyl)-5-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-2-(4-butoxyphenyl)-5-(2-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(4-butoxyphenyl)-5-(2-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(4-butoxyphenyl)-5-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 2-(4-Butoxyphenyl)-5-(2-nitrobenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(4-Butoxyphenyl)-5-(2-nitrobenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
| Molecular Formula | C21H18N4O4S |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 3.4528 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1049 |
| Heavy Atoms | 30 |
| Complexity | 1311.2786 |
Chemical Identifiers
| CAS Number | 606958-14-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CC=CC=C4[N+](=O)[O-])/SC3=N2 |
Product Overview
RefChem:404526 (CAS 606958-14-9), with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol. IUPAC: (5Z)-2-(4-butoxyphenyl)-5-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404526
Property Insights of RefChem:404526
The XLogP value of 3.4528 indicates that RefChem:404526 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 RefChem:404526. Following Lipinski's Rule of Five, RefChem:404526 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 RefChem:404526?
The CAS number of RefChem:404526 is 606958-14-9.
What is the molecular formula of RefChem:404526?
The molecular formula of RefChem:404526 is C21H18N4O4S.
What is the molecular weight of RefChem:404526?
The molecular weight of RefChem:404526 is 422.10 g/mol.
Where can I buy RefChem:404526?
You can request a quote for RefChem:404526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404526?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.