5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile
TL;DR: 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile (CAS 313379-96-3) is a chemical compound with molecular formula C15H12ClN3O4 and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile
Also Known As: ChemDiv1_002356, 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile, A1172/0054471, 5-Acetyl-2-amino-4-(2-chloro-5-nitro-phenyl)-6-methyl-4H-pyran-3-carbonitrile, 5-acetyl-2-amino-4-{2-chloro-5-nitrophenyl}-6-methyl-4H-pyran-3-carbonitrile
| Molecular Formula | C15H12ClN3O4 |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 2.91888 |
| Topological Polar Surface Area | 119.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.05164 |
| Heavy Atoms | 23 |
| Complexity | 820.50116 |
Chemical Identifiers
| CAS Number | 313379-96-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)C |
Product Overview
5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile (CAS 313379-96-3), with molecular formula C15H12ClN3O4 and molecular weight 333.05 g/mol. IUPAC: 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile.
Chemical Property Profile of 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile
Property Insights of 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile
The XLogP value of 2.91888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile. The TPSA of 119.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile. Following Lipinski's Rule of Five, 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile has 1 hydrogen bond donor(s) and 6 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-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile?
The CAS number of 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile is 313379-96-3.
What is the molecular formula of 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile?
The molecular formula of 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile is C15H12ClN3O4.
What is the molecular weight of 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile?
The molecular weight of 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile is 333.05 g/mol.
Where can I buy 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile?
You can request a quote for 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-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-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.