AQ-405/42300296
TL;DR: AQ-405/42300296 (CAS 22480-80-4) is a chemical compound with molecular formula C19H16N2O and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-1-ethylisoquinoline-1-carbonitrile
Also Known As: 2-benzoyl-1-ethylisoquinoline-1-carbonitrile, AQ-405/42300296, 2-benzoyl-1-ethyl-1,2-dihydro-1-isoquinolinecarbonitrile, 1-Ethyl-2-benzoyl-1,2-dihydro-isochinaldonitril, 1-Isoquinolinecarbonitrile, 2-benzoyl-1-ethyl-1,2-dihydro-
| Molecular Formula | C19H16N2O |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 3.94218 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.12625 |
| Heavy Atoms | 22 |
| Complexity | 773.5222 |
Chemical Identifiers
| CAS Number | 22480-80-4 |
|---|---|
| SMILES | CCC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N |
Product Overview
AQ-405/42300296 (CAS 22480-80-4), with molecular formula C19H16N2O and molecular weight 288.13 g/mol. IUPAC: 2-benzoyl-1-ethylisoquinoline-1-carbonitrile.
Chemical Property Profile of AQ-405/42300296
Property Insights of AQ-405/42300296
The XLogP value of 3.94218 indicates that AQ-405/42300296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, AQ-405/42300296 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ-405/42300296 has 0 hydrogen bond donor(s) and 2 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 AQ-405/42300296?
The CAS number of AQ-405/42300296 is 22480-80-4.
What is the molecular formula of AQ-405/42300296?
The molecular formula of AQ-405/42300296 is C19H16N2O.
What is the molecular weight of AQ-405/42300296?
The molecular weight of AQ-405/42300296 is 288.13 g/mol.
Where can I buy AQ-405/42300296?
You can request a quote for AQ-405/42300296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-405/42300296?
Yes, KEHONG BIO provides custom synthesis services for AQ-405/42300296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.