CDS1_004161
TL;DR: CDS1_004161 (CAS 5534-93-0) is a chemical compound with molecular formula C18H13ClN2O3S2 and molecular weight 404.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: CDS1_004161, BIM-0023854.P001, (Z)-2-chloro-N-(5-(2-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, F0207-0872, AF-399/10512048
| Molecular Formula | C18H13ClN2O3S2 |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 3.8948 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0056 |
| Heavy Atoms | 26 |
| Complexity | 930.15717 |
Chemical Identifiers
| CAS Number | 5534-93-0 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3Cl |
Product Overview
CDS1_004161 (CAS 5534-93-0), with molecular formula C18H13ClN2O3S2 and molecular weight 404.01 g/mol. IUPAC: 2-chloro-N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of CDS1_004161
Property Insights of CDS1_004161
The XLogP value of 3.8948 indicates that CDS1_004161 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, CDS1_004161 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_004161 has 1 hydrogen bond donor(s) and 5 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_004161?
The CAS number of CDS1_004161 is 5534-93-0.
What is the molecular formula of CDS1_004161?
The molecular formula of CDS1_004161 is C18H13ClN2O3S2.
What is the molecular weight of CDS1_004161?
The molecular weight of CDS1_004161 is 404.01 g/mol.
Where can I buy CDS1_004161?
You can request a quote for CDS1_004161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004161?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.