BAS 02056966
TL;DR: BAS 02056966 (CAS 314751-60-5) is a chemical compound with molecular formula C22H22N2O5S2 and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylpropanamide
Also Known As: BAS 02056966, 3-[(5E)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]-N-phenylpropanamide, (E)-3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)-N-phenylpropanamide, 3-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylpropanamide, 3-{4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene](1,3-thiazolidin-3-yl)} -N-phenylpropanamide
| Molecular Formula | C22H22N2O5S2 |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 3.9424 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.09702 |
| Heavy Atoms | 31 |
| Complexity | 998.8114 |
Chemical Identifiers
| CAS Number | 314751-60-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=C3 |
Product Overview
BAS 02056966 (CAS 314751-60-5), with molecular formula C22H22N2O5S2 and molecular weight 458.10 g/mol. IUPAC: 3-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylpropanamide.
Chemical Property Profile of BAS 02056966
Property Insights of BAS 02056966
The XLogP value of 3.9424 indicates that BAS 02056966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02056966. Following Lipinski's Rule of Five, BAS 02056966 has 1 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 BAS 02056966?
The CAS number of BAS 02056966 is 314751-60-5.
What is the molecular formula of BAS 02056966?
The molecular formula of BAS 02056966 is C22H22N2O5S2.
What is the molecular weight of BAS 02056966?
The molecular weight of BAS 02056966 is 458.10 g/mol.
Where can I buy BAS 02056966?
You can request a quote for BAS 02056966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02056966?
Yes, KEHONG BIO provides custom synthesis services for BAS 02056966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.