RefChem:404827
TL;DR: RefChem:404827 (CAS 538340-05-5) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-5-[4-(dimethylamino)benzylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-(4-(Dimethylamino)benzylidene)-2-(4-ethoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-5-(4-(DIMETHYLAMINO)BENZYLIDENE)-2-(4-ETHOXYPHENYL)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONE, (5Z)-5-[(4-dimethylaminophenyl)methylidene]-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 646-270-9
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 2.8304 |
| Topological Polar Surface Area | 59.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 1208.5098 |
Chemical Identifiers
| CAS Number | 538340-05-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CC=C(C=C4)N(C)C)/SC3=N2 |
Product Overview
RefChem:404827 (CAS 538340-05-5), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404827
Property Insights of RefChem:404827
The XLogP value of 2.8304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:404827. With a topological polar surface area (TPSA) of 59.73 Ų, RefChem:404827 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404827 has 0 hydrogen bond donor(s) and 6 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:404827?
The CAS number of RefChem:404827 is 538340-05-5.
What is the molecular formula of RefChem:404827?
The molecular formula of RefChem:404827 is C21H20N4O2S.
What is the molecular weight of RefChem:404827?
The molecular weight of RefChem:404827 is 392.13 g/mol.
Where can I buy RefChem:404827?
You can request a quote for RefChem:404827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404827?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.