RefChem:404292
TL;DR: RefChem:404292 (CAS 618073-57-7) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: AF-399/41899549, (5E)-5-(2,4-dimethoxybenzylidene)-2-(4-isopropoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-(2,4-DIMETHOXYBENZYLIDENE)-2-(4-ISOPROPOXYPHENYL)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONE, (5E)-5-(2,4-dimethoxybenzylidene)-2-[4-(propan-2-yloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 3.1701 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1292.6592 |
Chemical Identifiers
| CAS Number | 618073-57-7 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=C(C=C(C=C4)OC)OC)/SC3=N2 |
Product Overview
RefChem:404292 (CAS 618073-57-7), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404292
Property Insights of RefChem:404292
The XLogP value of 3.1701 indicates that RefChem:404292 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:404292. Following Lipinski's Rule of Five, RefChem:404292 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:404292?
The CAS number of RefChem:404292 is 618073-57-7.
What is the molecular formula of RefChem:404292?
The molecular formula of RefChem:404292 is C22H21N3O4S.
What is the molecular weight of RefChem:404292?
The molecular weight of RefChem:404292 is 423.13 g/mol.
Where can I buy RefChem:404292?
You can request a quote for RefChem:404292 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404292?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404292 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.