N-Methoxymethylphenobarbital
TL;DR: N-Methoxymethylphenobarbital (CAS 42013-65-0) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: N-Methoxymethylphenobarbital, N-Methoxymethylphenobarbitone, 1-Methoxymethylphenobarbital, N-Methoxymethyl Phenobarbital, 1-Methoxymethyl-5-ethyl-5-phenylbarbituric acid
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 42013-65-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)COC)C2=CC=CC=C2 |
| InChIKey | NCBHGFZZIGBMJK-UHFFFAOYSA-N |
Product Overview
N-Methoxymethylphenobarbital (CAS 42013-65-0), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: 5-ethyl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of N-Methoxymethylphenobarbital
Property Insights of N-Methoxymethylphenobarbital
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methoxymethylphenobarbital. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methoxymethylphenobarbital. Following Lipinski's Rule of Five, N-Methoxymethylphenobarbital 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 N-Methoxymethylphenobarbital?
The CAS number of N-Methoxymethylphenobarbital is 42013-65-0.
What is the molecular formula of N-Methoxymethylphenobarbital?
The molecular formula of N-Methoxymethylphenobarbital is C14H16N2O4.
What is the molecular weight of N-Methoxymethylphenobarbital?
The molecular weight of N-Methoxymethylphenobarbital is 276.11 g/mol.
Where can I buy N-Methoxymethylphenobarbital?
You can request a quote for N-Methoxymethylphenobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methoxymethylphenobarbital?
Yes, KEHONG BIO provides custom synthesis services for N-Methoxymethylphenobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.