Aminopyrine butylchloral hydrate
TL;DR: Aminopyrine butylchloral hydrate (CAS 3963-81-3) is a chemical compound with molecular formula C17H24Cl3N3O3 and molecular weight 423.09 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;2,2,3-trichlorobutane-1,1-diol
Also Known As: Aminopyrine butylchloral hydrate, ASCIATINE, TRIGEMIN, BUTYLCHLORALAMINOPYRINE, 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2,2,3-trichlorobutane-1,1-diol
| Molecular Formula | C17H24Cl3N3O3 |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 2.65 |
| Topological Polar Surface Area | 67.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.08832 |
| Heavy Atoms | 26 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 3963-81-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CC(C(C(O)O)(Cl)Cl)Cl |
| InChIKey | WJSLIOCJBDDBGK-UHFFFAOYSA-N |
Product Overview
Aminopyrine butylchloral hydrate (CAS 3963-81-3), with molecular formula C17H24Cl3N3O3 and molecular weight 423.09 g/mol. IUPAC: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;2,2,3-trichlorobutane-1,1-diol.
Chemical Property Profile of Aminopyrine butylchloral hydrate
Property Insights of Aminopyrine butylchloral hydrate
The XLogP value of 2.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aminopyrine butylchloral hydrate. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Aminopyrine butylchloral hydrate. Following Lipinski's Rule of Five, Aminopyrine butylchloral hydrate 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 Aminopyrine butylchloral hydrate?
The CAS number of Aminopyrine butylchloral hydrate is 3963-81-3.
What is the molecular formula of Aminopyrine butylchloral hydrate?
The molecular formula of Aminopyrine butylchloral hydrate is C17H24Cl3N3O3.
What is the molecular weight of Aminopyrine butylchloral hydrate?
The molecular weight of Aminopyrine butylchloral hydrate is 423.09 g/mol.
Where can I buy Aminopyrine butylchloral hydrate?
You can request a quote for Aminopyrine butylchloral hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminopyrine butylchloral hydrate?
Yes, KEHONG BIO provides custom synthesis services for Aminopyrine butylchloral hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.