ChemDiv1_010393
TL;DR: ChemDiv1_010393 (CAS 403829-67-4) is a chemical compound with molecular formula C24H23N3O4S2 and molecular weight 481.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylpropanamide
Also Known As: ChemDiv1_010393, N-(2-cyanoethyl)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylpropanamide, F1004-0067, (Z)-N-(2-cyanoethyl)-3-(5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-phenylpropanamide, 3-{5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N- (2-cyanoethyl)-N-phenylpropanamide
| Molecular Formula | C24H23N3O4S2 |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 4.24198 |
| Topological Polar Surface Area | 82.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.113 |
| Heavy Atoms | 33 |
| Complexity | 1112.4376 |
Chemical Identifiers
| CAS Number | 403829-67-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)N(CCC#N)C3=CC=CC=C3)OC |
Product Overview
ChemDiv1_010393 (CAS 403829-67-4), with molecular formula C24H23N3O4S2 and molecular weight 481.11 g/mol. IUPAC: N-(2-cyanoethyl)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylpropanamide.
Chemical Property Profile of ChemDiv1_010393
Property Insights of ChemDiv1_010393
The XLogP value of 4.24198 indicates that ChemDiv1_010393 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010393. Following Lipinski's Rule of Five, ChemDiv1_010393 has 0 hydrogen bond donor(s) and 7 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 ChemDiv1_010393?
The CAS number of ChemDiv1_010393 is 403829-67-4.
What is the molecular formula of ChemDiv1_010393?
The molecular formula of ChemDiv1_010393 is C24H23N3O4S2.
What is the molecular weight of ChemDiv1_010393?
The molecular weight of ChemDiv1_010393 is 481.11 g/mol.
Where can I buy ChemDiv1_010393?
You can request a quote for ChemDiv1_010393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010393?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.