RefChem:404542
TL;DR: RefChem:404542 (CAS 623935-29-5) is a chemical compound with molecular formula C31H27N3O4S2 and molecular weight 569.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-(1,3-BENZODIOXOL-5-YLMETHYL)-5-{[3-(4-BUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, 3-(Benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(1,3-BENZODIOXOL-5-YLMETHYL)-5-((3-(4-BUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C31H27N3O4S2 |
|---|---|
| Molecular Weight | 569.14 g/mol |
| LogP | 6.8483 |
| Topological Polar Surface Area | 65.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 569.1443 |
| Heavy Atoms | 40 |
| Complexity | 1582.1307 |
Chemical Identifiers
| CAS Number | 623935-29-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6 |
Product Overview
RefChem:404542 (CAS 623935-29-5), with molecular formula C31H27N3O4S2 and molecular weight 569.14 g/mol. IUPAC: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404542
Property Insights of RefChem:404542
The XLogP value of 6.8483 indicates that RefChem:404542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.82 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:404542. Following Lipinski's Rule of Five, RefChem:404542 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:404542?
The CAS number of RefChem:404542 is 623935-29-5.
What is the molecular formula of RefChem:404542?
The molecular formula of RefChem:404542 is C31H27N3O4S2.
What is the molecular weight of RefChem:404542?
The molecular weight of RefChem:404542 is 569.14 g/mol.
Where can I buy RefChem:404542?
You can request a quote for RefChem:404542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404542?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.