RefChem:538946
TL;DR: RefChem:538946 (CAS 623939-87-7) is a chemical compound with molecular formula C28H28FN3O4S2 and molecular weight 553.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5Z)-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: SALOR-INT L440728-1EA, 6-((5Z)-5-{[3-(3-FLUORO-4-PROPOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)HEXANOIC ACID, 6-(5-((3-(3-Fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, 6-((5Z)-5-((3-(3-FLUORO-4-PROPOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)HEXANOIC ACID, 6-[(5Z)-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
| Molecular Formula | C28H28FN3O4S2 |
|---|---|
| Molecular Weight | 553.15 g/mol |
| LogP | 6.3134 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 553.1505 |
| Heavy Atoms | 38 |
| Complexity | 1357.3835 |
Chemical Identifiers
| CAS Number | 623939-87-7 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O)C4=CC=CC=C4)F |
Product Overview
RefChem:538946 (CAS 623939-87-7), with molecular formula C28H28FN3O4S2 and molecular weight 553.15 g/mol. IUPAC: 6-[(5Z)-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of RefChem:538946
Property Insights of RefChem:538946
The XLogP value of 6.3134 indicates that RefChem:538946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:538946. Following Lipinski's Rule of Five, RefChem:538946 has 1 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:538946?
The CAS number of RefChem:538946 is 623939-87-7.
What is the molecular formula of RefChem:538946?
The molecular formula of RefChem:538946 is C28H28FN3O4S2.
What is the molecular weight of RefChem:538946?
The molecular weight of RefChem:538946 is 553.15 g/mol.
Where can I buy RefChem:538946?
You can request a quote for RefChem:538946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:538946?
Yes, KEHONG BIO provides custom synthesis services for RefChem:538946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.