RefChem:404562
TL;DR: RefChem:404562 (CAS 623939-79-7) is a chemical compound with molecular formula C27H28FN3O3S2 and molecular weight 525.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-ethoxypropyl)-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-(3-ethoxypropyl)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(3-ETHOXYPROPYL)-5-((3-(3-FLUORO-4-PROPOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-(3-ethoxypropyl)-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-(3-ethoxypropyl)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, 3-(3-Ethoxypropyl)-5-((3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C27H28FN3O3S2 |
|---|---|
| Molecular Weight | 525.16 g/mol |
| LogP | 6.095 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 525.15564 |
| Heavy Atoms | 36 |
| Complexity | 1260.4048 |
Chemical Identifiers
| CAS Number | 623939-79-7 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCOCC)C4=CC=CC=C4)F |
Product Overview
RefChem:404562 (CAS 623939-79-7), with molecular formula C27H28FN3O3S2 and molecular weight 525.16 g/mol. IUPAC: (5Z)-3-(3-ethoxypropyl)-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404562
Property Insights of RefChem:404562
The XLogP value of 6.095 indicates that RefChem:404562 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:404562 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404562 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:404562?
The CAS number of RefChem:404562 is 623939-79-7.
What is the molecular formula of RefChem:404562?
The molecular formula of RefChem:404562 is C27H28FN3O3S2.
What is the molecular weight of RefChem:404562?
The molecular weight of RefChem:404562 is 525.16 g/mol.
Where can I buy RefChem:404562?
You can request a quote for RefChem:404562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404562?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.