Merocyanine oxazolone
TL;DR: Merocyanine oxazolone (CAS 71960-70-8) is a chemical compound with molecular formula C21H22N2O5S2 and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]propane-1-sulfonic acid
Also Known As: Merocyanine oxazolone, NK 2367, 3-[4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]propane-1-sulfonic acid
| Molecular Formula | C21H22N2O5S2 |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.09702 |
| Heavy Atoms | 30 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 71960-70-8 |
|---|---|
| SMILES | CCN1C(=O)C(=CC=CC=C2C=CN(C3=CC=CC=C23)CCCS(=O)(=O)O)OC1=S |
| InChIKey | JLLWEASFMYXWPS-UHFFFAOYSA-N |
Product Overview
Merocyanine oxazolone (CAS 71960-70-8), with molecular formula C21H22N2O5S2 and molecular weight 446.10 g/mol. IUPAC: 3-[4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]propane-1-sulfonic acid.
Chemical Property Profile of Merocyanine oxazolone
Property Insights of Merocyanine oxazolone
The XLogP value of 3.2 indicates that Merocyanine oxazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Merocyanine oxazolone. Following Lipinski's Rule of Five, Merocyanine oxazolone 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 Merocyanine oxazolone?
The CAS number of Merocyanine oxazolone is 71960-70-8.
What is the molecular formula of Merocyanine oxazolone?
The molecular formula of Merocyanine oxazolone is C21H22N2O5S2.
What is the molecular weight of Merocyanine oxazolone?
The molecular weight of Merocyanine oxazolone is 446.10 g/mol.
Where can I buy Merocyanine oxazolone?
You can request a quote for Merocyanine oxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Merocyanine oxazolone?
Yes, KEHONG BIO provides custom synthesis services for Merocyanine oxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.