2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
TL;DR: 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 368434-77-9) is a chemical compound with molecular formula C22H16N2O5 and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
| Molecular Formula | C22H16N2O5 |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.40258 |
| Topological Polar Surface Area | 113.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.10593 |
| Heavy Atoms | 29 |
| Complexity | 1094.2726 |
Chemical Identifiers
| CAS Number | 368434-77-9 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1OC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C#N)O)C4=CC=CC=C4 |
Product Overview
2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 368434-77-9), with molecular formula C22H16N2O5 and molecular weight 388.11 g/mol. IUPAC: 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Property Insights of 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The XLogP value of 4.40258 indicates that 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-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 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The CAS number of 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 368434-77-9.
What is the molecular formula of 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular formula of 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C22H16N2O5.
What is the molecular weight of 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular weight of 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 388.11 g/mol.
Where can I buy 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
You can request a quote for 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.