N-Allylpentobarbital
TL;DR: N-Allylpentobarbital (CAS 6383-05-7) is a chemical compound with molecular formula C14H22N2O3 and molecular weight 266.16 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-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: N-Allylpentobarbital, N-Monoallylpentobarbital, N-MAPB, Barbituric acid, 1-allyl-5-ethyl-5-(1-methylbutyl)-, J2.124.914I
| Molecular Formula | C14H22N2O3 |
|---|---|
| Molecular Weight | 266.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.16306 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 6383-05-7 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)N(C1=O)CC=C)CC |
| InChIKey | BBAWGSLXDGRZSD-UHFFFAOYSA-N |
Product Overview
N-Allylpentobarbital (CAS 6383-05-7), with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol. IUPAC: 5-ethyl-5-pentan-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of N-Allylpentobarbital
Property Insights of N-Allylpentobarbital
The XLogP value of 3.1 indicates that N-Allylpentobarbital is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Allylpentobarbital. Following Lipinski's Rule of Five, N-Allylpentobarbital has 1 hydrogen bond donor(s) and 3 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 N-Allylpentobarbital?
The CAS number of N-Allylpentobarbital is 6383-05-7.
What is the molecular formula of N-Allylpentobarbital?
The molecular formula of N-Allylpentobarbital is C14H22N2O3.
What is the molecular weight of N-Allylpentobarbital?
The molecular weight of N-Allylpentobarbital is 266.16 g/mol.
Where can I buy N-Allylpentobarbital?
You can request a quote for N-Allylpentobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allylpentobarbital?
Yes, KEHONG BIO provides custom synthesis services for N-Allylpentobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.