2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 311331-20-1) is a chemical compound with molecular formula C22H17N5O5 and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1,4-bis(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1,4-bis(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1152/0053875, 2-amino-1,4-bis{4-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1,4-bis(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C22H17N5O5 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 3.80778 |
| Topological Polar Surface Area | 156.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.12296 |
| Heavy Atoms | 32 |
| Complexity | 1238.9678 |
Chemical Identifiers
| CAS Number | 311331-20-1 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1 |
Product Overview
2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 311331-20-1), with molecular formula C22H17N5O5 and molecular weight 431.12 g/mol. IUPAC: 2-amino-1,4-bis(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 3.80778 indicates that 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.4 Ų indicates high polarity, suggesting 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile has 1 hydrogen bond donor(s) and 8 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-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 311331-20-1.
What is the molecular formula of 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C22H17N5O5.
What is the molecular weight of 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 431.12 g/mol.
Where can I buy 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-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-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1,4-bis(4-nitro-PH)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.