AQ-405/42300327
TL;DR: AQ-405/42300327 (CAS 16576-35-5) is a chemical compound with molecular formula C24H18N2O and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-1-benzylisoquinoline-1-carbonitrile
Also Known As: 2-benzoyl-1-benzylisoquinoline-1-carbonitrile, AQ-405/42300327, 2-benzoyl-1-benzyl-1,2-dihydro-1-isoquinolinecarbonitrile, 2-benzoyl-1-benzyl-1,2-dihydroisoquinoline-1-carbonitrile, 1-Benzyl-1-cyan-2-benzoyl-1,2-dihydro-isochinolin
| Molecular Formula | C24H18N2O |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 4.77488 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.1419 |
| Heavy Atoms | 27 |
| Complexity | 1034.7361 |
Chemical Identifiers
| CAS Number | 16576-35-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N |
Product Overview
AQ-405/42300327 (CAS 16576-35-5), with molecular formula C24H18N2O and molecular weight 350.14 g/mol. IUPAC: 2-benzoyl-1-benzylisoquinoline-1-carbonitrile.
Chemical Property Profile of AQ-405/42300327
Property Insights of AQ-405/42300327
The XLogP value of 4.77488 indicates that AQ-405/42300327 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-405/42300327 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ-405/42300327 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-405/42300327?
The CAS number of AQ-405/42300327 is 16576-35-5.
What is the molecular formula of AQ-405/42300327?
The molecular formula of AQ-405/42300327 is C24H18N2O.
What is the molecular weight of AQ-405/42300327?
The molecular weight of AQ-405/42300327 is 350.14 g/mol.
Where can I buy AQ-405/42300327?
You can request a quote for AQ-405/42300327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-405/42300327?
Yes, KEHONG BIO provides custom synthesis services for AQ-405/42300327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.