![[Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate structure](/static/products/6686/66867-33-2.webp)
[Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate
TL;DR: [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate (CAS 66867-33-2) is a chemical compound with molecular formula C20H15N3O5 and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate
Also Known As: [cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate|[cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbona|Cyano(isoquinolin-1-yl)(4-nitrophenyl)methyl ethyl carbonate
| Molecular Formula | C20H15N3O5 |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.10117 |
| Heavy Atoms | 28 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 66867-33-2 |
|---|---|
| SMILES | CCOC(=O)OC(C#N)(C1=CC=C(C=C1)[N+](=O)[O-])C2=NC=CC3=CC=CC=C32 |
| InChIKey | FEIKWSRBYYVCFH-UHFFFAOYSA-N |
Product Overview
[Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate (CAS 66867-33-2), with molecular formula C20H15N3O5 and molecular weight 377.10 g/mol. IUPAC: [cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate.
Chemical Property Profile of [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate
Property Insights of [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate
The XLogP value of 3.9 indicates that [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate. Following Lipinski's Rule of Five, [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate has 0 hydrogen bond donor(s) and 7 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 [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate?
The CAS number of [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate is 66867-33-2.
What is the molecular formula of [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate?
The molecular formula of [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate is C20H15N3O5.
What is the molecular weight of [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate?
The molecular weight of [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate is 377.10 g/mol.
Where can I buy [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate?
You can request a quote for [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for [Cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.