N,N-Diallylpentobarbital
TL;DR: N,N-Diallylpentobarbital (CAS 95575-11-4) is a chemical compound with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(3-methylbutyl)-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Also Known As: N,N-Diallylpentobarbital, N,N-Dapb, J2.124.917C, 1,3-Diallyl-5-ethyl-5-isopentylpyrimidine-2,4,6(1H,3H,5H)-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-1,3-di-2-propenyl-
| Molecular Formula | C17H26N2O3 |
|---|---|
| Molecular Weight | 306.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 306.19434 |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 95575-11-4 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CC=C)CC=C)CCC(C)C |
| InChIKey | WOOJIBVDNKTPDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diallylpentobarbital (CAS 95575-11-4), with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol. IUPAC: 5-ethyl-5-(3-methylbutyl)-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of N,N-Diallylpentobarbital
Property Insights of N,N-Diallylpentobarbital
The XLogP value of 3.5 indicates that N,N-Diallylpentobarbital is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, N,N-Diallylpentobarbital exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diallylpentobarbital has 0 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,N-Diallylpentobarbital?
The CAS number of N,N-Diallylpentobarbital is 95575-11-4.
What is the molecular formula of N,N-Diallylpentobarbital?
The molecular formula of N,N-Diallylpentobarbital is C17H26N2O3.
What is the molecular weight of N,N-Diallylpentobarbital?
The molecular weight of N,N-Diallylpentobarbital is 306.19 g/mol.
Where can I buy N,N-Diallylpentobarbital?
You can request a quote for N,N-Diallylpentobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diallylpentobarbital?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diallylpentobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.