1',2'-Epoxyhexobarbital
TL;DR: 1',2'-Epoxyhexobarbital (CAS 66403-25-6) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-5-(7-oxabicyclo[4.1.0]heptan-1-yl)-1,3-diazinane-2,4,6-trione
Also Known As: 1',2'-Epoxyhexobarbital, Epoxy-hexobarbital, 1 ,2 -Epoxyhexobarbital, 1,5-dimethyl-5-(7-oxabicyclo[4.1.0]heptan-1-yl)-1,3-diazinane-2,4,6-trione, 1,5-dimethyl-5-{7-oxabicyclo[4.1.0]heptan-1-yl}-1,3-diazinane-2,4,6-trione
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 66403-25-6 |
|---|---|
| SMILES | CC1(C(=O)NC(=O)N(C1=O)C)C23CCCCC2O3 |
| InChIKey | WOWLNDOPAUTOTH-UHFFFAOYSA-N |
Product Overview
1',2'-Epoxyhexobarbital (CAS 66403-25-6), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: 1,5-dimethyl-5-(7-oxabicyclo[4.1.0]heptan-1-yl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1',2'-Epoxyhexobarbital
Property Insights of 1',2'-Epoxyhexobarbital
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1',2'-Epoxyhexobarbital. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1',2'-Epoxyhexobarbital. Following Lipinski's Rule of Five, 1',2'-Epoxyhexobarbital 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 1',2'-Epoxyhexobarbital?
The CAS number of 1',2'-Epoxyhexobarbital is 66403-25-6.
What is the molecular formula of 1',2'-Epoxyhexobarbital?
The molecular formula of 1',2'-Epoxyhexobarbital is C12H16N2O4.
What is the molecular weight of 1',2'-Epoxyhexobarbital?
The molecular weight of 1',2'-Epoxyhexobarbital is 252.11 g/mol.
Where can I buy 1',2'-Epoxyhexobarbital?
You can request a quote for 1',2'-Epoxyhexobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1',2'-Epoxyhexobarbital?
Yes, KEHONG BIO provides custom synthesis services for 1',2'-Epoxyhexobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.