Aminophenazone hemibarbital
TL;DR: Aminophenazone hemibarbital (CAS 69401-33-8) is a chemical compound with molecular formula C34H46N8O5 and molecular weight 646.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1,3-diazinane-2,4,6-trione;bis(4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one)
Also Known As: Pyrabital, Aminophenazone hemibarbital, DIAMINOPHENAZONE BARBITAL, C13H17N3O.1/2C8H12N2O3, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, compd. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:2)
| Molecular Formula | C34H46N8O5 |
|---|---|
| Molecular Weight | 646.36 g/mol |
| LogP | 3.26 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 646.35913 |
| Heavy Atoms | 47 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 69401-33-8 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CC.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C |
| InChIKey | MFKKTEWLBHKVQW-UHFFFAOYSA-N |
Product Overview
Aminophenazone hemibarbital (CAS 69401-33-8), with molecular formula C34H46N8O5 and molecular weight 646.36 g/mol. IUPAC: 5,5-diethyl-1,3-diazinane-2,4,6-trione;bis(4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one).
Chemical Property Profile of Aminophenazone hemibarbital
Property Insights of Aminophenazone hemibarbital
The XLogP value of 3.26 indicates that Aminophenazone hemibarbital is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aminophenazone hemibarbital. Following Lipinski's Rule of Five, Aminophenazone hemibarbital has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aminophenazone hemibarbital?
The CAS number of Aminophenazone hemibarbital is 69401-33-8.
What is the molecular formula of Aminophenazone hemibarbital?
The molecular formula of Aminophenazone hemibarbital is C34H46N8O5.
What is the molecular weight of Aminophenazone hemibarbital?
The molecular weight of Aminophenazone hemibarbital is 646.36 g/mol.
Where can I buy Aminophenazone hemibarbital?
You can request a quote for Aminophenazone hemibarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminophenazone hemibarbital?
Yes, KEHONG BIO provides custom synthesis services for Aminophenazone hemibarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.