Einecs 259-505-1
TL;DR: Einecs 259-505-1 (CAS 55154-38-6) is a chemical compound with molecular formula C22H24N4O5S and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;quinolin-2-yl hydrogen sulfate
Also Known As: EINECS 259-505-1, 4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compound with 2-quinolyl hydrogen sulphate (1:1), 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one,quinolin-2-yl hydrogen sulfate, 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one; quinolin-2-yl hydrogen sulfate, 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE 2-QUINOLYL HYDROGEN SULFATE
| Molecular Formula | C22H24N4O5S |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 2.96682 |
| Topological Polar Surface Area | 106.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.14673 |
| Heavy Atoms | 32 |
| Complexity | 1393.1162 |
Chemical Identifiers
| CAS Number | 55154-38-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1=CC=C2C(=C1)C=CC(=N2)OS(=O)(=O)O |
Product Overview
Einecs 259-505-1 (CAS 55154-38-6), with molecular formula C22H24N4O5S and molecular weight 456.15 g/mol. IUPAC: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;quinolin-2-yl hydrogen sulfate.
Chemical Property Profile of Einecs 259-505-1
Property Insights of Einecs 259-505-1
The XLogP value of 2.96682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 259-505-1. The TPSA of 106.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 259-505-1. Following Lipinski's Rule of Five, Einecs 259-505-1 has 1 hydrogen bond donor(s) and 6 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 259-505-1?
The CAS number of Einecs 259-505-1 is 55154-38-6.
What is the molecular formula of Einecs 259-505-1?
The molecular formula of Einecs 259-505-1 is C22H24N4O5S.
What is the molecular weight of Einecs 259-505-1?
The molecular weight of Einecs 259-505-1 is 456.15 g/mol.
Where can I buy Einecs 259-505-1?
You can request a quote for Einecs 259-505-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 259-505-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 259-505-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.