Einecs 258-227-8
TL;DR: Einecs 258-227-8 (CAS 52869-31-5) is a chemical compound with molecular formula C22H18N2O3 and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(dimethylamino)anilino]-8-hydroxyphenanthrene-3,4-dione
Also Known As: 1-((4-(Dimethylamino)phenyl)amino)-4-hydroxyanthraquinone, 5-{[4-(dimethylamino)phenyl]amino}-8-hydroxyphenanthrene-3,4-dione, 5-[4-(dimethylamino)anilino]-8-hydroxyphenanthrene-3,4-dione, 9,10-Anthracenedione, 1-((4-(dimethylamino)phenyl)amino)-4-hydroxy-, EINECS 258-227-8
| Molecular Formula | C22H18N2O3 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.13174 |
| Heavy Atoms | 27 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 52869-31-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C=CC4=C3C(=O)C(=O)C=C4 |
| InChIKey | NRCLHSGXRGJHDU-UHFFFAOYSA-N |
Product Overview
Einecs 258-227-8 (CAS 52869-31-5), with molecular formula C22H18N2O3 and molecular weight 358.13 g/mol. IUPAC: 5-[4-(dimethylamino)anilino]-8-hydroxyphenanthrene-3,4-dione.
Chemical Property Profile of Einecs 258-227-8
Property Insights of Einecs 258-227-8
The XLogP value of 4.0 indicates that Einecs 258-227-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 258-227-8. Following Lipinski's Rule of Five, Einecs 258-227-8 has 2 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 Einecs 258-227-8?
The CAS number of Einecs 258-227-8 is 52869-31-5.
What is the molecular formula of Einecs 258-227-8?
The molecular formula of Einecs 258-227-8 is C22H18N2O3.
What is the molecular weight of Einecs 258-227-8?
The molecular weight of Einecs 258-227-8 is 358.13 g/mol.
Where can I buy Einecs 258-227-8?
You can request a quote for Einecs 258-227-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 258-227-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 258-227-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.