N-Methylpentobarbital
TL;DR: N-Methylpentobarbital (CAS 57563-07-2) is a chemical compound with molecular formula C18H20N8O and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(4,5-dicyano-1-methylimidazol-2-yl)diazenyl]-5-(diethylamino)phenyl]acetamide
Also Known As: N-Methylpentobarbital, Acetamide, N-(2-((4,5-dicyano-1-methyl-1H-imidazol-2-yl)azo)-5-(diethylamino)phenyl)-, Acetamide, N-[2-[(4,5-dicyano-1-methyl-1H-imidazol-2-yl)azo]-5-(diethylamino)phenyl]-, N-[2-[(4,5-dicyano-1-methylimidazol-2-yl)diazenyl]-5-(diethylamino)phenyl]acetamide, Acetamide, N-(2-(2-(4,5-dicyano-1-methyl-1H-imidazol-2-yl)diazenyl)-5-(diethylamino)phenyl)-
| Molecular Formula | C18H20N8O |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.176 |
| Heavy Atoms | 27 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 57563-07-2 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)N=NC2=NC(=C(N2C)C#N)C#N)NC(=O)C |
| InChIKey | AEHRLZWWXVZUHG-UHFFFAOYSA-N |
Product Overview
N-Methylpentobarbital (CAS 57563-07-2), with molecular formula C18H20N8O and molecular weight 364.18 g/mol. IUPAC: N-[2-[(4,5-dicyano-1-methylimidazol-2-yl)diazenyl]-5-(diethylamino)phenyl]acetamide.
Chemical Property Profile of N-Methylpentobarbital
Property Insights of N-Methylpentobarbital
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylpentobarbital. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methylpentobarbital. Following Lipinski's Rule of Five, N-Methylpentobarbital has 1 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 N-Methylpentobarbital?
The CAS number of N-Methylpentobarbital is 57563-07-2.
What is the molecular formula of N-Methylpentobarbital?
The molecular formula of N-Methylpentobarbital is C18H20N8O.
What is the molecular weight of N-Methylpentobarbital?
The molecular weight of N-Methylpentobarbital is 364.18 g/mol.
Where can I buy N-Methylpentobarbital?
You can request a quote for N-Methylpentobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylpentobarbital?
Yes, KEHONG BIO provides custom synthesis services for N-Methylpentobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.