RefChem:404595
TL;DR: RefChem:404595 (CAS 623940-38-5) is a chemical compound with molecular formula C28H28FN3O2S2 and molecular weight 521.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-cyclohexyl-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-cyclohexyl-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one, 3-Cyclohexyl-5-((3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-CYCLOHEXYL-5-((3-(3-FLUORO-4-PROPOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-cyclohexyl-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-cyclohexyl-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C28H28FN3O2S2 |
|---|---|
| Molecular Weight | 521.16 g/mol |
| LogP | 7.0011 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.1607 |
| Heavy Atoms | 36 |
| Complexity | 1299.3785 |
Chemical Identifiers
| CAS Number | 623940-38-5 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)F |
Product Overview
RefChem:404595 (CAS 623940-38-5), with molecular formula C28H28FN3O2S2 and molecular weight 521.16 g/mol. IUPAC: (5Z)-3-cyclohexyl-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404595
Property Insights of RefChem:404595
The XLogP value of 7.0011 indicates that RefChem:404595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.36 Ų, RefChem:404595 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404595 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:404595?
The CAS number of RefChem:404595 is 623940-38-5.
What is the molecular formula of RefChem:404595?
The molecular formula of RefChem:404595 is C28H28FN3O2S2.
What is the molecular weight of RefChem:404595?
The molecular weight of RefChem:404595 is 521.16 g/mol.
Where can I buy RefChem:404595?
You can request a quote for RefChem:404595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404595?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.