CDS1_004228
TL;DR: CDS1_004228 (CAS 299952-63-9) is a chemical compound with molecular formula C19H15N3O6S2 and molecular weight 445.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide
Also Known As: CDS1_004228, BAS 00534039, BIM-0023787.P001, (Z)-N-(5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide, N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide
| Molecular Formula | C19H15N3O6S2 |
|---|---|
| Molecular Weight | 445.04 g/mol |
| LogP | 3.2453 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.04022 |
| Heavy Atoms | 30 |
| Complexity | 1068.4395 |
Chemical Identifiers
| CAS Number | 299952-63-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O |
Product Overview
CDS1_004228 (CAS 299952-63-9), with molecular formula C19H15N3O6S2 and molecular weight 445.04 g/mol. IUPAC: N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide.
Chemical Property Profile of CDS1_004228
Property Insights of CDS1_004228
The XLogP value of 3.2453 indicates that CDS1_004228 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.01 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_004228. Following Lipinski's Rule of Five, CDS1_004228 has 2 hydrogen bond donor(s) and 8 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 CDS1_004228?
The CAS number of CDS1_004228 is 299952-63-9.
What is the molecular formula of CDS1_004228?
The molecular formula of CDS1_004228 is C19H15N3O6S2.
What is the molecular weight of CDS1_004228?
The molecular weight of CDS1_004228 is 445.04 g/mol.
Where can I buy CDS1_004228?
You can request a quote for CDS1_004228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004228?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.