EINECS 259-655-8
TL;DR: EINECS 259-655-8 (CAS 55470-53-6) is a chemical compound with molecular formula C20H24N2O6S and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylamino)-3-(1-methylpyridin-1-ium-4-yl)chromen-2-one;methyl sulfate
Also Known As: EINECS 259-655-8, 4-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1-methylpyridiniummethyl sulphate, 4-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1-methylpyridinium methyl sulphate, 4-[7-2-oxo-2h-1-benzopyran-3-yl]-1-methylpyridiniummethylsulphate, 4-[7- -2-oxo-2H-1-benzopyran-3-yl]-1-methylpyridiniummethylsulphate
| Molecular Formula | C20H24N2O6S |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 2.2237 |
| Topological Polar Surface Area | 103.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.1355 |
| Heavy Atoms | 29 |
| Complexity | 1119.9117 |
Chemical Identifiers
| CAS Number | 55470-53-6 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=[N+](C=C3)C.COS(=O)(=O)[O-] |
Product Overview
EINECS 259-655-8 (CAS 55470-53-6), with molecular formula C20H24N2O6S and molecular weight 420.14 g/mol. IUPAC: 7-(diethylamino)-3-(1-methylpyridin-1-ium-4-yl)chromen-2-one;methyl sulfate.
Chemical Property Profile of EINECS 259-655-8
Property Insights of EINECS 259-655-8
The XLogP value of 2.2237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 259-655-8. The TPSA of 103.76 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 259-655-8. Following Lipinski's Rule of Five, EINECS 259-655-8 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 EINECS 259-655-8?
The CAS number of EINECS 259-655-8 is 55470-53-6.
What is the molecular formula of EINECS 259-655-8?
The molecular formula of EINECS 259-655-8 is C20H24N2O6S.
What is the molecular weight of EINECS 259-655-8?
The molecular weight of EINECS 259-655-8 is 420.14 g/mol.
Where can I buy EINECS 259-655-8?
You can request a quote for EINECS 259-655-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-655-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-655-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.