(S)-Hexobarbital
TL;DR: (S)-Hexobarbital (CAS 7245-04-7) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: (S)-Hexobarbital, Hexobarbitone, Hexobarbital, (+)-Hexobarbital, (-)-Hexobarbital
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.2013 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 427.46667 |
Chemical Identifiers
| CAS Number | 7245-04-7 |
|---|---|
| SMILES | C[C@@]1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2 |
Product Overview
(S)-Hexobarbital (CAS 7245-04-7), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: (5S)-5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (S)-Hexobarbital
Property Insights of (S)-Hexobarbital
The XLogP value of 1.2013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Hexobarbital. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Hexobarbital. Following Lipinski's Rule of Five, (S)-Hexobarbital 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 (S)-Hexobarbital?
The CAS number of (S)-Hexobarbital is 7245-04-7.
What is the molecular formula of (S)-Hexobarbital?
The molecular formula of (S)-Hexobarbital is C12H16N2O3.
What is the molecular weight of (S)-Hexobarbital?
The molecular weight of (S)-Hexobarbital is 236.12 g/mol.
Where can I buy (S)-Hexobarbital?
You can request a quote for (S)-Hexobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Hexobarbital?
Yes, KEHONG BIO provides custom synthesis services for (S)-Hexobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.