Rhodanine analogue
TL;DR: Rhodanine analogue (CAS 298701-18-5) is a chemical compound with molecular formula C16H10N2O6S2 and molecular weight 390.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: Rhodanine analogue, BI-11A12, BAS 00271825, BIM-0029779.P001, J1.371.661G
| Molecular Formula | C16H10N2O6S2 |
|---|---|
| Molecular Weight | 390.00 g/mol |
| LogP | 3.1406 |
| Topological Polar Surface Area | 113.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.99802 |
| Heavy Atoms | 26 |
| Complexity | 965.1545 |
Chemical Identifiers
| CAS Number | 298701-18-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)CC(=O)O)[N+](=O)[O-] |
Product Overview
Rhodanine analogue (CAS 298701-18-5), with molecular formula C16H10N2O6S2 and molecular weight 390.00 g/mol. IUPAC: 2-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of Rhodanine analogue
Property Insights of Rhodanine analogue
The XLogP value of 3.1406 indicates that Rhodanine analogue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Rhodanine analogue. Following Lipinski's Rule of Five, Rhodanine analogue has 1 hydrogen bond donor(s) and 7 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 Rhodanine analogue?
The CAS number of Rhodanine analogue is 298701-18-5.
What is the molecular formula of Rhodanine analogue?
The molecular formula of Rhodanine analogue is C16H10N2O6S2.
What is the molecular weight of Rhodanine analogue?
The molecular weight of Rhodanine analogue is 390.00 g/mol.
Where can I buy Rhodanine analogue?
You can request a quote for Rhodanine analogue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhodanine analogue?
Yes, KEHONG BIO provides custom synthesis services for Rhodanine analogue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.