![2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile structure](/static/products/6130/61306-99-8.webp)
2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile
TL;DR: 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile (CAS 61306-99-8) is a chemical compound with molecular formula C51H40N4O6 and molecular weight 804.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile
Also Known As: 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile, 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methy, 2-Benzoyl-1-[(3-{2-[(2-benzoyl-1-cyano-1,2-dihydroisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy}-4-methoxyphenyl)methyl]-1,2-dihydroisoquinoline-1-carbonitrile
| Molecular Formula | C51H40N4O6 |
|---|---|
| Molecular Weight | 804.29 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 804.2948 |
| Heavy Atoms | 61 |
| Complexity | 1690.0 |
Chemical Identifiers
| CAS Number | 61306-99-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N)OC5=CC(=C(C=C5CC6(C7=CC=CC=C7C=CN6C(=O)C8=CC=CC=C8)C#N)OC)OC |
| InChIKey | ZNCQIGIXNMRZOQ-UHFFFAOYSA-N |
Product Overview
2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile (CAS 61306-99-8), with molecular formula C51H40N4O6 and molecular weight 804.29 g/mol. IUPAC: 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile.
Chemical Property Profile of 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile
Property Insights of 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile
The XLogP value of 9.1 indicates that 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile. Following Lipinski's Rule of Five, 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile?
The CAS number of 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile is 61306-99-8.
What is the molecular formula of 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile?
The molecular formula of 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile is C51H40N4O6.
What is the molecular weight of 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile?
The molecular weight of 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile is 804.29 g/mol.
Where can I buy 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile?
You can request a quote for 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-benzoyl-1-[[3-[2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.