N-Methylcyclobarbital
TL;DR: N-Methylcyclobarbital (CAS 726-78-3) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyclohexen-1-yl)-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
Also Known As: N-Methylcyclobarbital, Cyclo-ghghghg, Cyclo(gly-his-gly-his-gly-his-gly), J1.603.421E, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl-1-methyl-
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 726-78-3 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2 |
| InChIKey | WPRPRRYHBBCMLM-UHFFFAOYSA-N |
Product Overview
N-Methylcyclobarbital (CAS 726-78-3), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 5-(cyclohexen-1-yl)-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of N-Methylcyclobarbital
Property Insights of N-Methylcyclobarbital
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylcyclobarbital. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methylcyclobarbital. Following Lipinski's Rule of Five, N-Methylcyclobarbital 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 N-Methylcyclobarbital?
The CAS number of N-Methylcyclobarbital is 726-78-3.
What is the molecular formula of N-Methylcyclobarbital?
The molecular formula of N-Methylcyclobarbital is C13H18N2O3.
What is the molecular weight of N-Methylcyclobarbital?
The molecular weight of N-Methylcyclobarbital is 250.13 g/mol.
Where can I buy N-Methylcyclobarbital?
You can request a quote for N-Methylcyclobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylcyclobarbital?
Yes, KEHONG BIO provides custom synthesis services for N-Methylcyclobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.