RefChem:513522
TL;DR: RefChem:513522 (CAS 722464-06-4) is a chemical compound with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-{4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 4-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[4-(3-Ethoxy-4-hydroxy-benzylidene)-5-oxo-2-thioxo-imidazolidin-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, 4-(4-((3-ethoxy-4-hydroxyphenyl)methylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 4-(4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-1-YL)-1,5-DIMETHYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-ONE
| Molecular Formula | C23H22N4O4S |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 2.85092 |
| Topological Polar Surface Area | 88.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.13617 |
| Heavy Atoms | 32 |
| Complexity | 1307.5209 |
Chemical Identifiers
| CAS Number | 722464-06-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)O |
Product Overview
RefChem:513522 (CAS 722464-06-4), with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol. IUPAC: 4-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of RefChem:513522
Property Insights of RefChem:513522
The XLogP value of 2.85092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:513522. The TPSA of 88.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513522. Following Lipinski's Rule of Five, RefChem:513522 has 2 hydrogen bond donor(s) and 5 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:513522?
The CAS number of RefChem:513522 is 722464-06-4.
What is the molecular formula of RefChem:513522?
The molecular formula of RefChem:513522 is C23H22N4O4S.
What is the molecular weight of RefChem:513522?
The molecular weight of RefChem:513522 is 450.14 g/mol.
Where can I buy RefChem:513522?
You can request a quote for RefChem:513522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513522?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.