1,3-Bis(dimethoxymethyl)phenobarbital
TL;DR: 1,3-Bis(dimethoxymethyl)phenobarbital (CAS 42013-64-9) is a chemical compound with molecular formula C18H24N2O7 and molecular weight 380.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(dimethoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-Bis(dimethoxymethyl)phenobarbital, 1,3-bis(dimethoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis(dimethoxymethyl)-5-ethyl-5-phenyl-, RefChem:72523
| Molecular Formula | C18H24N2O7 |
|---|---|
| Molecular Weight | 380.16 g/mol |
| LogP | 1.278 |
| Topological Polar Surface Area | 94.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.15836 |
| Heavy Atoms | 27 |
| Complexity | 652.2104 |
Chemical Identifiers
| CAS Number | 42013-64-9 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)C(OC)OC)C(OC)OC)C2=CC=CC=C2 |
Product Overview
1,3-Bis(dimethoxymethyl)phenobarbital (CAS 42013-64-9), with molecular formula C18H24N2O7 and molecular weight 380.16 g/mol. IUPAC: 1,3-bis(dimethoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Bis(dimethoxymethyl)phenobarbital
Property Insights of 1,3-Bis(dimethoxymethyl)phenobarbital
The XLogP value of 1.278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(dimethoxymethyl)phenobarbital. The TPSA of 94.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(dimethoxymethyl)phenobarbital. Following Lipinski's Rule of Five, 1,3-Bis(dimethoxymethyl)phenobarbital has 0 hydrogen bond donor(s) and 7 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 1,3-Bis(dimethoxymethyl)phenobarbital?
The CAS number of 1,3-Bis(dimethoxymethyl)phenobarbital is 42013-64-9.
What is the molecular formula of 1,3-Bis(dimethoxymethyl)phenobarbital?
The molecular formula of 1,3-Bis(dimethoxymethyl)phenobarbital is C18H24N2O7.
What is the molecular weight of 1,3-Bis(dimethoxymethyl)phenobarbital?
The molecular weight of 1,3-Bis(dimethoxymethyl)phenobarbital is 380.16 g/mol.
Where can I buy 1,3-Bis(dimethoxymethyl)phenobarbital?
You can request a quote for 1,3-Bis(dimethoxymethyl)phenobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(dimethoxymethyl)phenobarbital?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(dimethoxymethyl)phenobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.