Pinacryptol Yellow
TL;DR: Pinacryptol Yellow (CAS 879278-79-2) is a chemical compound with molecular formula C21H22N2O7S and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium;methyl sulfate
Also Known As: Pinacryptol yellow, Pinakrytol yellow, Pinakryptol Yellow, PINACRYPTOLYELLOW, EINECS 247-336-6
| Molecular Formula | C21H22N2O7S |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 3.2346 |
| Topological Polar Surface Area | 122.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.11478 |
| Heavy Atoms | 31 |
| Complexity | 1207.5739 |
Chemical Identifiers
| CAS Number | 879278-79-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C.COS(=O)(=O)[O-] |
Product Overview
Pinacryptol Yellow (CAS 879278-79-2), with molecular formula C21H22N2O7S and molecular weight 446.11 g/mol. IUPAC: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium;methyl sulfate.
Chemical Property Profile of Pinacryptol Yellow
Property Insights of Pinacryptol Yellow
The XLogP value of 3.2346 indicates that Pinacryptol Yellow is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Pinacryptol Yellow. Following Lipinski's Rule of Five, Pinacryptol Yellow has 0 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 Pinacryptol Yellow?
The CAS number of Pinacryptol Yellow is 879278-79-2.
What is the molecular formula of Pinacryptol Yellow?
The molecular formula of Pinacryptol Yellow is C21H22N2O7S.
What is the molecular weight of Pinacryptol Yellow?
The molecular weight of Pinacryptol Yellow is 446.11 g/mol.
Where can I buy Pinacryptol Yellow?
You can request a quote for Pinacryptol Yellow directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinacryptol Yellow?
Yes, KEHONG BIO provides custom synthesis services for Pinacryptol Yellow and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.