RefChem:404644
TL;DR: RefChem:404644 (CAS 623935-03-5) is a chemical compound with molecular formula C29H23N5O2S and molecular weight 505.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-((3-(2,5-Dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(4-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-5-((3-(2,5-Dimethylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-(4-methoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one, (5Z)-5-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C29H23N5O2S |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 4.84384 |
| Topological Polar Surface Area | 74.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.15726 |
| Heavy Atoms | 37 |
| Complexity | 1850.7169 |
Chemical Identifiers
| CAS Number | 623935-03-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=NN(C=C2/C=C\3/C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OC)S3)C6=CC=CC=C6 |
Product Overview
RefChem:404644 (CAS 623935-03-5), with molecular formula C29H23N5O2S and molecular weight 505.16 g/mol. IUPAC: (5Z)-5-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404644
Property Insights of RefChem:404644
The XLogP value of 4.84384 indicates that RefChem:404644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:404644. Following Lipinski's Rule of Five, RefChem:404644 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:404644?
The CAS number of RefChem:404644 is 623935-03-5.
What is the molecular formula of RefChem:404644?
The molecular formula of RefChem:404644 is C29H23N5O2S.
What is the molecular weight of RefChem:404644?
The molecular weight of RefChem:404644 is 505.16 g/mol.
Where can I buy RefChem:404644?
You can request a quote for RefChem:404644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.