RefChem:404649
TL;DR: RefChem:404649 (CAS 623935-80-8) is a chemical compound with molecular formula C29H25N3O3S2 and molecular weight 527.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one, 5-((3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-phenethyl-2-thioxothiazolidin-4-one, (5Z)-5-((3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C29H25N3O3S2 |
|---|---|
| Molecular Weight | 527.13 g/mol |
| LogP | 6.0004 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.1337 |
| Heavy Atoms | 37 |
| Complexity | 1466.5173 |
Chemical Identifiers
| CAS Number | 623935-80-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=CC=C4)C5=CC=CC=C5)OC |
Product Overview
RefChem:404649 (CAS 623935-80-8), with molecular formula C29H25N3O3S2 and molecular weight 527.13 g/mol. IUPAC: (5Z)-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404649
Property Insights of RefChem:404649
The XLogP value of 6.0004 indicates that RefChem:404649 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, RefChem:404649 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404649 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:404649?
The CAS number of RefChem:404649 is 623935-80-8.
What is the molecular formula of RefChem:404649?
The molecular formula of RefChem:404649 is C29H25N3O3S2.
What is the molecular weight of RefChem:404649?
The molecular weight of RefChem:404649 is 527.13 g/mol.
Where can I buy RefChem:404649?
You can request a quote for RefChem:404649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404649?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.