Desbutal
TL;DR: Desbutal (CAS 8028-71-5) is a chemical compound with molecular formula C21H34ClN3O3 and molecular weight 411.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;N-methyl-1-phenylpropan-2-amine;hydrochloride
Also Known As: Desbutal, Oils, huon pine, 5-Ethyl-4,6-dihydroxy-5-(pentan-2-yl)pyrimidin-2(5H)-one--N-methyl-1-phenylpropan-2-amine--hydrogen chloride (1/1/1), 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione, N-methyl-1-phenyl-pr opan-2-amine, hydrochloride, 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione,N-methyl-1-phenylpropan-2-amine,hydrochloride
| Molecular Formula | C21H34ClN3O3 |
|---|---|
| Molecular Weight | 411.23 g/mol |
| LogP | 3.4438 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.22888 |
| Heavy Atoms | 28 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 8028-71-5 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)NC1=O)CC.CC(CC1=CC=CC=C1)NC.Cl |
| InChIKey | OVVVDQPFLUEXOY-UHFFFAOYSA-N |
Product Overview
Desbutal (CAS 8028-71-5), with molecular formula C21H34ClN3O3 and molecular weight 411.23 g/mol. IUPAC: 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;N-methyl-1-phenylpropan-2-amine;hydrochloride.
Chemical Property Profile of Desbutal
Property Insights of Desbutal
The XLogP value of 3.4438 indicates that Desbutal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Desbutal. Following Lipinski's Rule of Five, Desbutal has 4 hydrogen bond donor(s) and 4 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 Desbutal?
The CAS number of Desbutal is 8028-71-5.
What is the molecular formula of Desbutal?
The molecular formula of Desbutal is C21H34ClN3O3.
What is the molecular weight of Desbutal?
The molecular weight of Desbutal is 411.23 g/mol.
Where can I buy Desbutal?
You can request a quote for Desbutal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desbutal?
Yes, KEHONG BIO provides custom synthesis services for Desbutal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.