RefChem:449697
TL;DR: RefChem:449697 (CAS 623935-31-9) is a chemical compound with molecular formula C24H23N3O5S3 and molecular weight 529.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: 2-((5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-3-yl)ethanesulfonic acid, 2-(4-Oxo-5-((1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-((5Z)-4-Oxo-5-((1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-3-YL)ethanesulfonic acid, 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, 2-[(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid
| Molecular Formula | C24H23N3O5S3 |
|---|---|
| Molecular Weight | 529.08 g/mol |
| LogP | 4.4171 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.07996 |
| Heavy Atoms | 35 |
| Complexity | 1367.146 |
Chemical Identifiers
| CAS Number | 623935-31-9 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCS(=O)(=O)O)C4=CC=CC=C4 |
Product Overview
RefChem:449697 (CAS 623935-31-9), with molecular formula C24H23N3O5S3 and molecular weight 529.08 g/mol. IUPAC: 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of RefChem:449697
Property Insights of RefChem:449697
The XLogP value of 4.4171 indicates that RefChem:449697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449697. Following Lipinski's Rule of Five, RefChem:449697 has 1 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:449697?
The CAS number of RefChem:449697 is 623935-31-9.
What is the molecular formula of RefChem:449697?
The molecular formula of RefChem:449697 is C24H23N3O5S3.
What is the molecular weight of RefChem:449697?
The molecular weight of RefChem:449697 is 529.08 g/mol.
Where can I buy RefChem:449697?
You can request a quote for RefChem:449697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449697?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.