1-Methyl-carbetoxymethyl-phenobarbital
TL;DR: 1-Methyl-carbetoxymethyl-phenobarbital (CAS 70959-41-0) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)acetate
Also Known As: 1-Methyl-carbetoxymethyl-phenobarbital, Ethyl 5-ethyltetrahydro-3-methyl-2,4,6-trioxo-5-phenyl-1(2H)-pyrimidineacetate, 1(2H)-Pyrimidineacetic acid, 5-ethyltetrahydro-3-methyl-2,4,6-trioxo-5-phenyl-, ethyl ester, Hexahydro-5-ethyl-3-methyl-5-phenyl-2,4,6-trioxo-1-pyrimidineacetic acid ethyl ester, Ethyl (5-ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)acetate
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 1.3181 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 672.8183 |
Chemical Identifiers
| CAS Number | 70959-41-0 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)OCC)C)C2=CC=CC=C2 |
Product Overview
1-Methyl-carbetoxymethyl-phenobarbital (CAS 70959-41-0), with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol. IUPAC: ethyl 2-(5-ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)acetate.
Chemical Property Profile of 1-Methyl-carbetoxymethyl-phenobarbital
Property Insights of 1-Methyl-carbetoxymethyl-phenobarbital
The XLogP value of 1.3181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-carbetoxymethyl-phenobarbital. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-carbetoxymethyl-phenobarbital. Following Lipinski's Rule of Five, 1-Methyl-carbetoxymethyl-phenobarbital has 0 hydrogen bond donor(s) and 5 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-Methyl-carbetoxymethyl-phenobarbital?
The CAS number of 1-Methyl-carbetoxymethyl-phenobarbital is 70959-41-0.
What is the molecular formula of 1-Methyl-carbetoxymethyl-phenobarbital?
The molecular formula of 1-Methyl-carbetoxymethyl-phenobarbital is C17H20N2O5.
What is the molecular weight of 1-Methyl-carbetoxymethyl-phenobarbital?
The molecular weight of 1-Methyl-carbetoxymethyl-phenobarbital is 332.14 g/mol.
Where can I buy 1-Methyl-carbetoxymethyl-phenobarbital?
You can request a quote for 1-Methyl-carbetoxymethyl-phenobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-carbetoxymethyl-phenobarbital?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-carbetoxymethyl-phenobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.