BAS 00478369
TL;DR: BAS 00478369 (CAS 333393-24-1) is a chemical compound with molecular formula C21H17Cl2NO5S2 and molecular weight 496.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00478369, AB00087184-01, (E)-2-(5-(4-((2,4-dichlorobenzyl)oxy)-3-ethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [(5E)-5-{4-[(2,4-dichlorobenzyl)oxy]-3-ethoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, 2-[(5E)-5-({4-[(2,4-DICHLOROPHENYL)METHOXY]-3-ETHOXYPHENYL}METHYLIDENE)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID
| Molecular Formula | C21H17Cl2NO5S2 |
|---|---|
| Molecular Weight | 496.99 g/mol |
| LogP | 5.2569 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.99252 |
| Heavy Atoms | 31 |
| Complexity | 1073.7307 |
Chemical Identifiers
| CAS Number | 333393-24-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OCC3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 00478369 (CAS 333393-24-1), with molecular formula C21H17Cl2NO5S2 and molecular weight 496.99 g/mol. IUPAC: 2-[(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00478369
Property Insights of BAS 00478369
The XLogP value of 5.2569 indicates that BAS 00478369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00478369. Following Lipinski's Rule of Five, BAS 00478369 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 BAS 00478369?
The CAS number of BAS 00478369 is 333393-24-1.
What is the molecular formula of BAS 00478369?
The molecular formula of BAS 00478369 is C21H17Cl2NO5S2.
What is the molecular weight of BAS 00478369?
The molecular weight of BAS 00478369 is 496.99 g/mol.
Where can I buy BAS 00478369?
You can request a quote for BAS 00478369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00478369?
Yes, KEHONG BIO provides custom synthesis services for BAS 00478369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.