![2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile structure](/static/products/6431/64319-89-7.webp)
2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile
TL;DR: 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile (CAS 64319-89-7) is a chemical compound with molecular formula C17H11N3O3 and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrobenzoyl)-1H-isoquinoline-1-carbonitrile
Also Known As: 2-Amino-6-chlor-chinolin-4-ol, 2-(4-nitrobenzoyl)-1H-isoquinoline-1-carbonitrile, 2-(4-Nitrobenzoyl)-1,2-dihydroisoquinoline-1-carbonitrile, 1-Isoquinolinecarbonitrile, 1,2-dihydro-2-(4-nitrobenzoyl)-, 2-[(4-nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile
| Molecular Formula | C17H11N3O3 |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 3.28618 |
| Topological Polar Surface Area | 87.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.08005 |
| Heavy Atoms | 23 |
| Complexity | 850.13245 |
Chemical Identifiers
| CAS Number | 64319-89-7 |
|---|---|
| SMILES | C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N |
Product Overview
2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile (CAS 64319-89-7), with molecular formula C17H11N3O3 and molecular weight 305.08 g/mol. IUPAC: 2-(4-nitrobenzoyl)-1H-isoquinoline-1-carbonitrile.
Chemical Property Profile of 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile
Property Insights of 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile
The XLogP value of 3.28618 indicates that 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile. Following Lipinski's Rule of Five, 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile has 0 hydrogen bond donor(s) and 4 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-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile?
The CAS number of 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile is 64319-89-7.
What is the molecular formula of 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile?
The molecular formula of 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile is C17H11N3O3.
What is the molecular weight of 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile?
The molecular weight of 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile is 305.08 g/mol.
Where can I buy 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile?
You can request a quote for 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Nitrophenyl)carbonyl]-1,2-dihydroisoquinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.