5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile
TL;DR: 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile (CAS 128453-25-8) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-2-amino-6-methyl-4-thiophen-2-yl-4H-pyran-3-carbonitrile
Also Known As: BAS 02229224, 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile, 5-Acetyl-2-amino-6-methyl-4-thiophen-2-yl-4H-pyran-3-carbonitrile, AN-329/06118051, 1,2,4-Oxadiazole-3-carboximidoyl chloride,N-hydroxy
Technical Specifications
| Molecular Formula | C13H12N2O2S |
| Molecular Weight | 260.06195 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.06195 Da |
| Heavy Atoms | 18 |
| Complexity | 498.0 |
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC=CS2)C(=O)C |
| InChIKey | HFJIHLGXKJKPBA-UHFFFAOYSA-N |
Chemical Property Profile of 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile
Property Insights of 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile. Following Lipinski's Rule of Five, 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile?
The CAS number of 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile is 128453-25-8.
What is the molecular formula of 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile?
The molecular formula of 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile is C13H12N2O2S.
What is the molecular weight of 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile?
The molecular weight of 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile is 260.06195 g/mol.
Where can I buy 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile?
You can request a quote for 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-acetyl-2-amino-6-methyl-4-(2-thienyl)-4H-pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.