5-22-12-00145 (Beilstein Handbook Reference)
TL;DR: 5-22-12-00145 (Beilstein Handbook Reference) (CAS 54-86-4) is a chemical compound with molecular formula C17H11Cl2N3O5 and molecular weight 407.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-chloro-8-hydroxyquinolin-7-yl)amino]-1-(4-chloro-3-nitrophenyl)-2-hydroxyethanone
Also Known As: 5-22-12-00145 (Beilstein Handbook Reference), 4'-Chloro-2-((5-chloro-8-hydroxy-7-quinolyl)amino)-2-hydroxy-3'-nitroacetophenone, Acetophenone, 4'-chloro-2-((5-chloro-8-hydroxy-7-quinolyl)amino)-2-hydroxy-3'-nitro-, 2-[(5-chloro-8-hydroxyquinolin-7-yl)amino]-1-(4-chloro-3-nit, 2-[(5-chloro-8-hydroxyquinolin-7-yl)amino]-1-(4-chloro-3-nitrophenyl)-2-hydroxyethanone
| Molecular Formula | C17H11Cl2N3O5 |
|---|---|
| Molecular Weight | 407.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.00757 |
| Heavy Atoms | 27 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 54-86-4 |
|---|---|
| SMILES | C1=CC2=C(C=C(C(=C2N=C1)O)NC(C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O)Cl |
| InChIKey | SVZGAGICXAJESL-UHFFFAOYSA-N |
Product Overview
5-22-12-00145 (Beilstein Handbook Reference) (CAS 54-86-4), with molecular formula C17H11Cl2N3O5 and molecular weight 407.01 g/mol. IUPAC: 2-[(5-chloro-8-hydroxyquinolin-7-yl)amino]-1-(4-chloro-3-nitrophenyl)-2-hydroxyethanone.
Chemical Property Profile of 5-22-12-00145 (Beilstein Handbook Reference)
Property Insights of 5-22-12-00145 (Beilstein Handbook Reference)
The XLogP value of 3.8 indicates that 5-22-12-00145 (Beilstein Handbook Reference) 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 5-22-12-00145 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-22-12-00145 (Beilstein Handbook Reference) has 3 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 5-22-12-00145 (Beilstein Handbook Reference)?
The CAS number of 5-22-12-00145 (Beilstein Handbook Reference) is 54-86-4.
What is the molecular formula of 5-22-12-00145 (Beilstein Handbook Reference)?
The molecular formula of 5-22-12-00145 (Beilstein Handbook Reference) is C17H11Cl2N3O5.
What is the molecular weight of 5-22-12-00145 (Beilstein Handbook Reference)?
The molecular weight of 5-22-12-00145 (Beilstein Handbook Reference) is 407.01 g/mol.
Where can I buy 5-22-12-00145 (Beilstein Handbook Reference)?
You can request a quote for 5-22-12-00145 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-22-12-00145 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-22-12-00145 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.