2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 333348-75-7) is a chemical compound with molecular formula C18H19NO2 and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isoquinolin-2-yl-(4-ethoxyphenyl)methanone
Also Known As: BAS 00784478, 2-(4-ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline, 3,4-dihydroisoquinolin-2(1H)-yl(4-ethoxyphenyl)methanone, 3,4-dihydro-1H-isoquinolin-2-yl-(4-ethoxyphenyl)methanone, 4-ethoxyphenyl 2-1,2,3,4-tetrahydroisoquinolyl ketone
| Molecular Formula | C18H19NO2 |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.14157 |
| Heavy Atoms | 21 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 333348-75-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2 |
| InChIKey | JSCIRVQFJPGXLS-UHFFFAOYSA-N |
Product Overview
2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 333348-75-7), with molecular formula C18H19NO2 and molecular weight 281.14 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-(4-ethoxyphenyl)methanone.
Chemical Property Profile of 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.2 indicates that 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline 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 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline is 333348-75-7.
What is the molecular formula of 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline is C18H19NO2.
What is the molecular weight of 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline is 281.14 g/mol.
Where can I buy 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Ethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.