![[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate structure](/static/products/3867/386731-57-3.webp)
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate
TL;DR: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate (CAS 386731-57-3) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate
Also Known As: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate, 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 4-hydroxybenzoate
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.1339 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 724.0564 |
Chemical Identifiers
| CAS Number | 386731-57-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)O |
Product Overview
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate (CAS 386731-57-3), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate.
Chemical Property Profile of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate
Property Insights of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate
The XLogP value of 2.1339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate. Following Lipinski's Rule of Five, [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate has 1 hydrogen bond donor(s) and 4 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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate?
The CAS number of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate is 386731-57-3.
What is the molecular formula of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate?
The molecular formula of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate is C18H17NO4.
What is the molecular weight of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate?
The molecular weight of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate is 311.12 g/mol.
Where can I buy [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate?
You can request a quote for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.