3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile
TL;DR: 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile (CAS 355435-65-3) is a chemical compound with molecular formula C21H12N4O3 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(1-oxo-4-phenylphthalazin-2-yl)benzonitrile
Also Known As: 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile, 3-nitro-4-(1-oxo-4-phenylphthalazin-2-yl)benzonitrile, A2355/0099439, 3-NITRO-4-(1-OXO-4-PHENYL-1,2-DIHYDROPHTHALAZIN-2-YL)BENZONITRILE
| Molecular Formula | C21H12N4O3 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 3.83258 |
| Topological Polar Surface Area | 101.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.09094 |
| Heavy Atoms | 28 |
| Complexity | 1321.305 |
Chemical Identifiers
| CAS Number | 355435-65-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)C#N)[N+](=O)[O-] |
Product Overview
3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile (CAS 355435-65-3), with molecular formula C21H12N4O3 and molecular weight 368.09 g/mol. IUPAC: 3-nitro-4-(1-oxo-4-phenylphthalazin-2-yl)benzonitrile.
Chemical Property Profile of 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile
Property Insights of 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile
The XLogP value of 3.83258 indicates that 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile. Following Lipinski's Rule of Five, 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile has 0 hydrogen bond donor(s) and 5 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 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile?
The CAS number of 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile is 355435-65-3.
What is the molecular formula of 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile?
The molecular formula of 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile is C21H12N4O3.
What is the molecular weight of 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile?
The molecular weight of 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile is 368.09 g/mol.
Where can I buy 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile?
You can request a quote for 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-4-(1-oxo-4-phenylphthalazin-2(1H)-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.