2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile
TL;DR: 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile (CAS 300700-90-7) is a chemical compound with molecular formula C16H16N4O4 and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-4-(5-nitrofuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile, 2-amino-7,7-dimethyl-4-(5-nitro-2-furyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile, 2-Amino-7,7-dimethyl-4-(5-nitrofuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-7,7-dimethyl-4-(5-nitrofuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C16H16N4O4 |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 2.21168 |
| Topological Polar Surface Area | 135.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.11716 |
| Heavy Atoms | 24 |
| Complexity | 853.6736 |
Chemical Identifiers
| CAS Number | 300700-90-7 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2)N)C#N)C3=CC=C(O3)[N+](=O)[O-])C(=O)C1)C |
Product Overview
2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile (CAS 300700-90-7), with molecular formula C16H16N4O4 and molecular weight 328.12 g/mol. IUPAC: 2-amino-7,7-dimethyl-4-(5-nitrofuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile
Property Insights of 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile
The XLogP value of 2.21168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile. The TPSA of 135.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile has 2 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 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile?
The CAS number of 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile is 300700-90-7.
What is the molecular formula of 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile?
The molecular formula of 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile is C16H16N4O4.
What is the molecular weight of 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile?
The molecular weight of 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile is 328.12 g/mol.
Where can I buy 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile?
You can request a quote for 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1,4,5,6,7,8-hexahydro-7,7-dimethyl-4-(5-nitro-2-furanyl)-5-oxo-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.