BAS 00277092
TL;DR: BAS 00277092 (CAS 5647-50-7) is a chemical compound with molecular formula C15H12N2O3S2 and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00277092, AB00091598-01, 3-allyl-5-[3-(2-nitrophenyl)-2-propen-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[(2E)-3-(2-NITROPHENYL)PROP-2-EN-1-YLIDENE]-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5E)-5-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C15H12N2O3S2 |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 3.5382 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.02893 |
| Heavy Atoms | 22 |
| Complexity | 710.494 |
Chemical Identifiers
| CAS Number | 5647-50-7 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C=C\C2=CC=CC=C2[N+](=O)[O-])/SC1=S |
Product Overview
BAS 00277092 (CAS 5647-50-7), with molecular formula C15H12N2O3S2 and molecular weight 332.03 g/mol. IUPAC: (5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00277092
Property Insights of BAS 00277092
The XLogP value of 3.5382 indicates that BAS 00277092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00277092. Following Lipinski's Rule of Five, BAS 00277092 has 0 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 BAS 00277092?
The CAS number of BAS 00277092 is 5647-50-7.
What is the molecular formula of BAS 00277092?
The molecular formula of BAS 00277092 is C15H12N2O3S2.
What is the molecular weight of BAS 00277092?
The molecular weight of BAS 00277092 is 332.03 g/mol.
Where can I buy BAS 00277092?
You can request a quote for BAS 00277092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00277092?
Yes, KEHONG BIO provides custom synthesis services for BAS 00277092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.