ChemDiv3_003368
TL;DR: ChemDiv3_003368 (CAS 432494-83-2) is a chemical compound with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperazine-1-carboxylate
Also Known As: ChemDiv3_003368, IDI1_021278, F1063-2346, BRD-K65888131-001-01-5, ethyl 4-(3-((Z)-4-oxo-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-3-yl)propanoyl)piperazine-1-carboxylate
| Molecular Formula | C22H25N3O4S2 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 3.1348 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.12866 |
| Heavy Atoms | 31 |
| Complexity | 893.2769 |
Chemical Identifiers
| CAS Number | 432494-83-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=S |
Product Overview
ChemDiv3_003368 (CAS 432494-83-2), with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol. IUPAC: ethyl 4-[3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv3_003368
Property Insights of ChemDiv3_003368
The XLogP value of 3.1348 indicates that ChemDiv3_003368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003368. Following Lipinski's Rule of Five, ChemDiv3_003368 has 0 hydrogen bond donor(s) and 6 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 ChemDiv3_003368?
The CAS number of ChemDiv3_003368 is 432494-83-2.
What is the molecular formula of ChemDiv3_003368?
The molecular formula of ChemDiv3_003368 is C22H25N3O4S2.
What is the molecular weight of ChemDiv3_003368?
The molecular weight of ChemDiv3_003368 is 459.13 g/mol.
Where can I buy ChemDiv3_003368?
You can request a quote for ChemDiv3_003368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003368?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.