RefChem:404530
TL;DR: RefChem:404530 (CAS 623935-43-3) 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)-2-(4-ethoxyphenyl)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-2-(4-ETHOXYPHENYL)-5-{[3-(4-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-6(5H)-ONE, (5Z)-2-(4-ETHOXYPHENYL)-5-((3-(4-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONE, (5Z)-2-(4-ethoxyphenyl)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-2-(4-ethoxyphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(4-Ethoxyphenyl)-5-((1-phenyl-3-(p-tolyl)-1H-pyrazol-4-yl)methylene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C29H23N5O2S |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 4.92552 |
| Topological Polar Surface Area | 74.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.15726 |
| Heavy Atoms | 37 |
| Complexity | 1801.0695 |
Chemical Identifiers
| CAS Number | 623935-43-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC=C(C=C5)C)C6=CC=CC=C6)/SC3=N2 |
Product Overview
RefChem:404530 (CAS 623935-43-3), with molecular formula C29H23N5O2S and molecular weight 505.16 g/mol. IUPAC: (5Z)-2-(4-ethoxyphenyl)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404530
Property Insights of RefChem:404530
The XLogP value of 4.92552 indicates that RefChem:404530 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:404530. Following Lipinski's Rule of Five, RefChem:404530 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:404530?
The CAS number of RefChem:404530 is 623935-43-3.
What is the molecular formula of RefChem:404530?
The molecular formula of RefChem:404530 is C29H23N5O2S.
What is the molecular weight of RefChem:404530?
The molecular weight of RefChem:404530 is 505.16 g/mol.
Where can I buy RefChem:404530?
You can request a quote for RefChem:404530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404530?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.