尼阿比妥
TL;DR: 尼阿比妥 (CAS 561-83-1) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼阿比妥
5-(2,2-dimethylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Nealbarbital, Nealbarbitone, Censedal, Neallymal, Nepental
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 561-83-1 |
|---|---|
| SMILES | CC(C)(C)CC1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | YHKPTICJRUESOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尼阿比妥 (CAS 561-83-1), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: 5-(2,2-dimethylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 尼阿比妥
Property Insights of 尼阿比妥
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尼阿比妥. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 尼阿比妥. Following Lipinski's Rule of Five, 尼阿比妥 has 2 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 尼阿比妥?
The CAS number of 尼阿比妥 is 561-83-1.
What is the molecular formula of 尼阿比妥?
The molecular formula of 尼阿比妥 is C12H18N2O3.
What is the molecular weight of 尼阿比妥?
The molecular weight of 尼阿比妥 is 238.13 g/mol.
Where can I buy 尼阿比妥?
You can request a quote for 尼阿比妥 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼阿比妥?
Yes, KEHONG BIO provides custom synthesis services for 尼阿比妥 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.