Dichloralphenazone
TL;DR: Dichloralphenazone (CAS 480-30-8) is a chemical compound with molecular formula C15H18Cl6N2O5 and molecular weight 515.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-2-phenylpyrazol-3-one;bis(2,2,2-trichloroethane-1,1-diol)
Also Known As: Dichloralphenazone, Dichloralantipyrine, Kloralfenazon, Dormuphar, Ibiodorm
| Molecular Formula | C15H18Cl6N2O5 |
|---|---|
| Molecular Weight | 515.93 g/mol |
| LogP | 2.82 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 517.93176 |
| Heavy Atoms | 28 |
| Complexity | 323.0 |
| Melting Point | 68 |
Chemical Identifiers
| CAS Number | 480-30-8 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O |
| InChIKey | ATKXDQOHNICLQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dichloralphenazone (CAS 480-30-8), with molecular formula C15H18Cl6N2O5 and molecular weight 515.93 g/mol. IUPAC: 1,5-dimethyl-2-phenylpyrazol-3-one;bis(2,2,2-trichloroethane-1,1-diol).
Chemical Property Profile of Dichloralphenazone
Property Insights of Dichloralphenazone
The XLogP value of 2.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloralphenazone. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dichloralphenazone. Following Lipinski's Rule of Five, Dichloralphenazone has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dichloralphenazone?
The CAS number of Dichloralphenazone is 480-30-8.
What is the molecular formula of Dichloralphenazone?
The molecular formula of Dichloralphenazone is C15H18Cl6N2O5.
What is the molecular weight of Dichloralphenazone?
The molecular weight of Dichloralphenazone is 515.93 g/mol.
Where can I buy Dichloralphenazone?
You can request a quote for Dichloralphenazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloralphenazone?
Yes, KEHONG BIO provides custom synthesis services for Dichloralphenazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.