Benzobarbital, (S)-
TL;DR: Benzobarbital, (S)- (CAS 113960-28-4) is a chemical compound with molecular formula C19H16N2O4 and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Benzobarbital, (+)-Benzonal, Benzobarbital, (S)-, (+)-S-Benzonal, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-benzoyl-5-ethyl-5-phenyl-, (5S)-
| Molecular Formula | C19H16N2O4 |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 2.2532 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.111 |
| Heavy Atoms | 25 |
| Complexity | 848.2425 |
Chemical Identifiers
| CAS Number | 113960-28-4 |
|---|---|
| SMILES | CC[C@@]1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Benzobarbital, (S)- (CAS 113960-28-4), with molecular formula C19H16N2O4 and molecular weight 336.11 g/mol. IUPAC: (5S)-1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Benzobarbital, (S)-
Property Insights of Benzobarbital, (S)-
The XLogP value of 2.2532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzobarbital, (S)-. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzobarbital, (S)-. Following Lipinski's Rule of Five, Benzobarbital, (S)- has 1 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 Benzobarbital, (S)-?
The CAS number of Benzobarbital, (S)- is 113960-28-4.
What is the molecular formula of Benzobarbital, (S)-?
The molecular formula of Benzobarbital, (S)- is C19H16N2O4.
What is the molecular weight of Benzobarbital, (S)-?
The molecular weight of Benzobarbital, (S)- is 336.11 g/mol.
Where can I buy Benzobarbital, (S)-?
You can request a quote for Benzobarbital, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzobarbital, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Benzobarbital, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.