BAS 02769016
TL;DR: BAS 02769016 (CAS 333420-24-9) is a chemical compound with molecular formula C22H20N2O5S2 and molecular weight 456.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
Also Known As: BAS 02769016, (E)-4-(3-(5-(4-ethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid, 4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid, 4-{3-[(5E)-5-[(4-ETHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDO}BENZOIC ACID, 4-(3-{5-[(4-ethoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propan oylamino)benzoic acid
| Molecular Formula | C22H20N2O5S2 |
|---|---|
| Molecular Weight | 456.08 g/mol |
| LogP | 4.0135 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.08136 |
| Heavy Atoms | 31 |
| Complexity | 1032.8717 |
Chemical Identifiers
| CAS Number | 333420-24-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
BAS 02769016 (CAS 333420-24-9), with molecular formula C22H20N2O5S2 and molecular weight 456.08 g/mol. IUPAC: 4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid.
Chemical Property Profile of BAS 02769016
Property Insights of BAS 02769016
The XLogP value of 4.0135 indicates that BAS 02769016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02769016. Following Lipinski's Rule of Five, BAS 02769016 has 2 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 BAS 02769016?
The CAS number of BAS 02769016 is 333420-24-9.
What is the molecular formula of BAS 02769016?
The molecular formula of BAS 02769016 is C22H20N2O5S2.
What is the molecular weight of BAS 02769016?
The molecular weight of BAS 02769016 is 456.08 g/mol.
Where can I buy BAS 02769016?
You can request a quote for BAS 02769016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02769016?
Yes, KEHONG BIO provides custom synthesis services for BAS 02769016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.