5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile
TL;DR: 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile (CAS 333341-05-2) is a chemical compound with molecular formula C15H12Cl2N2O2 and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile
Also Known As: 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile
| Molecular Formula | C15H12Cl2N2O2 |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 3.66408 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.0276 |
| Heavy Atoms | 21 |
| Complexity | 709.42944 |
Chemical Identifiers
| CAS Number | 333341-05-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC=C2Cl)Cl)C(=O)C |
Product Overview
5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile (CAS 333341-05-2), with molecular formula C15H12Cl2N2O2 and molecular weight 322.03 g/mol. IUPAC: 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile.
Chemical Property Profile of 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile
Property Insights of 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile
The XLogP value of 3.66408 indicates that 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile. Following Lipinski's Rule of Five, 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile 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 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile?
The CAS number of 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile is 333341-05-2.
What is the molecular formula of 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile?
The molecular formula of 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile is C15H12Cl2N2O2.
What is the molecular weight of 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile?
The molecular weight of 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile is 322.03 g/mol.
Where can I buy 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile?
You can request a quote for 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-2-amino-4-(2,6-dichlorophenyl)-6-methyl-4H-pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.