(4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
TL;DR: (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 832091-83-5) is a chemical compound with molecular formula C20H23NO2 and molecular weight 309.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butoxyphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone, (4-butoxyphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
| Molecular Formula | C20H23NO2 |
|---|---|
| Molecular Weight | 309.17 g/mol |
| LogP | 4.064 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.17288 |
| Heavy Atoms | 23 |
| Complexity | 663.5968 |
Chemical Identifiers
| CAS Number | 832091-83-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
(4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 832091-83-5), with molecular formula C20H23NO2 and molecular weight 309.17 g/mol. IUPAC: (4-butoxyphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Property Insights of (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 4.064 indicates that (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone 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 (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone is 832091-83-5.
What is the molecular formula of (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone is C20H23NO2.
What is the molecular weight of (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone is 309.17 g/mol.
Where can I buy (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-butoxyphenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.