AS-871/42094872
TL;DR: AS-871/42094872 (CAS 577998-03-9) is a chemical compound with molecular formula C23H24N4O3S and molecular weight 436.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: AS-871/42094872, (5Z)-5-[4-(diethylamino)benzylidene]-2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-5-{[4-(DIETHYLAMINO)PHENYL]METHYLIDENE}-2-(3,4-DIMETHOXYPHENYL)-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-ONE, (Z)-5-(4-(diethylamino)benzylidene)-2-(3,4-dimethoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C23H24N4O3S |
|---|---|
| Molecular Weight | 436.16 g/mol |
| LogP | 3.2291 |
| Topological Polar Surface Area | 68.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.15692 |
| Heavy Atoms | 31 |
| Complexity | 1307.3389 |
Chemical Identifiers
| CAS Number | 577998-03-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC(=C(C=C4)OC)OC)S2 |
Product Overview
AS-871/42094872 (CAS 577998-03-9), with molecular formula C23H24N4O3S and molecular weight 436.16 g/mol. IUPAC: (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of AS-871/42094872
Property Insights of AS-871/42094872
The XLogP value of 3.2291 indicates that AS-871/42094872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42094872. Following Lipinski's Rule of Five, AS-871/42094872 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 AS-871/42094872?
The CAS number of AS-871/42094872 is 577998-03-9.
What is the molecular formula of AS-871/42094872?
The molecular formula of AS-871/42094872 is C23H24N4O3S.
What is the molecular weight of AS-871/42094872?
The molecular weight of AS-871/42094872 is 436.16 g/mol.
Where can I buy AS-871/42094872?
You can request a quote for AS-871/42094872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42094872?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42094872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.