(1-Isoquinolin-1-ylcyclohexyl) benzoate
TL;DR: (1-Isoquinolin-1-ylcyclohexyl) benzoate (CAS 54923-40-9) is a chemical compound with molecular formula C22H21NO2 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-isoquinolin-1-ylcyclohexyl) benzoate
Also Known As: (1-isoquinolin-1-ylcyclohexyl) benzoate, 1-(ISOQUINOLIN-1-YL)CYCLOHEXYL BENZOATE
| Molecular Formula | C22H21NO2 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.15723 |
| Heavy Atoms | 25 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 54923-40-9 |
|---|---|
| SMILES | C1CCC(CC1)(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4 |
| InChIKey | NTEWYKZTDNWDQT-UHFFFAOYSA-N |
Product Overview
(1-Isoquinolin-1-ylcyclohexyl) benzoate (CAS 54923-40-9), with molecular formula C22H21NO2 and molecular weight 331.16 g/mol. IUPAC: (1-isoquinolin-1-ylcyclohexyl) benzoate.
Chemical Property Profile of (1-Isoquinolin-1-ylcyclohexyl) benzoate
Property Insights of (1-Isoquinolin-1-ylcyclohexyl) benzoate
The XLogP value of 5.1 indicates that (1-Isoquinolin-1-ylcyclohexyl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, (1-Isoquinolin-1-ylcyclohexyl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Isoquinolin-1-ylcyclohexyl) benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-Isoquinolin-1-ylcyclohexyl) benzoate?
The CAS number of (1-Isoquinolin-1-ylcyclohexyl) benzoate is 54923-40-9.
What is the molecular formula of (1-Isoquinolin-1-ylcyclohexyl) benzoate?
The molecular formula of (1-Isoquinolin-1-ylcyclohexyl) benzoate is C22H21NO2.
What is the molecular weight of (1-Isoquinolin-1-ylcyclohexyl) benzoate?
The molecular weight of (1-Isoquinolin-1-ylcyclohexyl) benzoate is 331.16 g/mol.
Where can I buy (1-Isoquinolin-1-ylcyclohexyl) benzoate?
You can request a quote for (1-Isoquinolin-1-ylcyclohexyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Isoquinolin-1-ylcyclohexyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Isoquinolin-1-ylcyclohexyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.