RefChem:404533
TL;DR: RefChem:404533 (CAS 623935-16-0) is a chemical compound with molecular formula C31H27N5O3S and molecular weight 549.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-(4-methoxyphenyl)-5-[[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 2-(4-Methoxyphenyl)-5-((3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(4-Methoxyphenyl)-5-((3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-PY razol-4-YL)methylene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one, (5Z)-2-(4-methoxyphenyl)-5-[[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-2-(4-METHOXYPHENYL)-5-{[3-(2-METHYL-4-PROPOXYPHENYL)-1-PHENYL-1H-PY RAZOL-4-YL]METHYLENE}[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-6(5H)-ONE, (5Z)-2-(4-methoxyphenyl)-5-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C31H27N5O3S |
|---|---|
| Molecular Weight | 549.18 g/mol |
| LogP | 5.32422 |
| Topological Polar Surface Area | 83.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.1835 |
| Heavy Atoms | 40 |
| Complexity | 1906.7759 |
Chemical Identifiers
| CAS Number | 623935-16-0 |
|---|---|
| SMILES | CCCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OC)S3)C6=CC=CC=C6)C |
Product Overview
RefChem:404533 (CAS 623935-16-0), with molecular formula C31H27N5O3S and molecular weight 549.18 g/mol. IUPAC: (5Z)-2-(4-methoxyphenyl)-5-[[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404533
Property Insights of RefChem:404533
The XLogP value of 5.32422 indicates that RefChem:404533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:404533. Following Lipinski's Rule of Five, RefChem:404533 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:404533?
The CAS number of RefChem:404533 is 623935-16-0.
What is the molecular formula of RefChem:404533?
The molecular formula of RefChem:404533 is C31H27N5O3S.
What is the molecular weight of RefChem:404533?
The molecular weight of RefChem:404533 is 549.18 g/mol.
Where can I buy RefChem:404533?
You can request a quote for RefChem:404533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404533?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.