RefChem:509655
TL;DR: RefChem:509655 (CAS 623940-49-8) is a chemical compound with molecular formula C28H29N3O4S2 and molecular weight 535.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 4-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BUTANOIC ACID, 4-((5Z)-5-((3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)butanoic acid, 4-(5-((3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-[(5Z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-[(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C28H29N3O4S2 |
|---|---|
| Molecular Weight | 535.16 g/mol |
| LogP | 6.09262 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 535.16 |
| Heavy Atoms | 37 |
| Complexity | 1334.4502 |
Chemical Identifiers
| CAS Number | 623940-49-8 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4)C |
Product Overview
RefChem:509655 (CAS 623940-49-8), with molecular formula C28H29N3O4S2 and molecular weight 535.16 g/mol. IUPAC: 4-[(5Z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of RefChem:509655
Property Insights of RefChem:509655
The XLogP value of 6.09262 indicates that RefChem:509655 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:509655. Following Lipinski's Rule of Five, RefChem:509655 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:509655?
The CAS number of RefChem:509655 is 623940-49-8.
What is the molecular formula of RefChem:509655?
The molecular formula of RefChem:509655 is C28H29N3O4S2.
What is the molecular weight of RefChem:509655?
The molecular weight of RefChem:509655 is 535.16 g/mol.
Where can I buy RefChem:509655?
You can request a quote for RefChem:509655 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:509655?
Yes, KEHONG BIO provides custom synthesis services for RefChem:509655 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.