CDS1_003459
TL;DR: CDS1_003459 (CAS 1103516-04-6) is a chemical compound with molecular formula C17H12N2O4S2 and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: CDS1_003459, BIM-0010905.P001, (5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-{[5-(4-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5E)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C17H12N2O4S2 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 4.242 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.02383 |
| Heavy Atoms | 25 |
| Complexity | 899.6266 |
Chemical Identifiers
| CAS Number | 1103516-04-6 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/SC1=S |
Product Overview
CDS1_003459 (CAS 1103516-04-6), with molecular formula C17H12N2O4S2 and molecular weight 372.02 g/mol. IUPAC: (5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of CDS1_003459
Property Insights of CDS1_003459
The XLogP value of 4.242 indicates that CDS1_003459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.59 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003459. Following Lipinski's Rule of Five, CDS1_003459 has 0 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 CDS1_003459?
The CAS number of CDS1_003459 is 1103516-04-6.
What is the molecular formula of CDS1_003459?
The molecular formula of CDS1_003459 is C17H12N2O4S2.
What is the molecular weight of CDS1_003459?
The molecular weight of CDS1_003459 is 372.02 g/mol.
Where can I buy CDS1_003459?
You can request a quote for CDS1_003459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003459?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.