RefChem:404701
TL;DR: RefChem:404701 (CAS 623936-10-7) is a chemical compound with molecular formula C21H16FN3OS2 and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-5-((3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one, F1423-0887, (5Z)-5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(3-FLUORO-4-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-3-METHYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C21H16FN3OS2 |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 4.81782 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.07187 |
| Heavy Atoms | 28 |
| Complexity | 1121.9343 |
Chemical Identifiers
| CAS Number | 623936-10-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C)C4=CC=CC=C4)F |
Product Overview
RefChem:404701 (CAS 623936-10-7), with molecular formula C21H16FN3OS2 and molecular weight 409.07 g/mol. IUPAC: (5Z)-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404701
Property Insights of RefChem:404701
The XLogP value of 4.81782 indicates that RefChem:404701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, RefChem:404701 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404701 has 0 hydrogen bond donor(s) and 4 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:404701?
The CAS number of RefChem:404701 is 623936-10-7.
What is the molecular formula of RefChem:404701?
The molecular formula of RefChem:404701 is C21H16FN3OS2.
What is the molecular weight of RefChem:404701?
The molecular weight of RefChem:404701 is 409.07 g/mol.
Where can I buy RefChem:404701?
You can request a quote for RefChem:404701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404701?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.