1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol
TL;DR: 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol (CAS 439129-13-2) is a chemical compound with molecular formula C20H25NO2 and molecular weight 311.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethylphenoxy)propan-2-ol
Also Known As: 1-(2,4-dimethylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol, 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol, 1-(3,4-Dihydroisoquinolin-2(1H)-yl)-3-(2,4-dimethylphenoxy)propan-2-ol, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethylphenoxy)propan-2-ol, 1-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-(2,4-dimethylphenoxy)-2-propanol
| Molecular Formula | C20H25NO2 |
|---|---|
| Molecular Weight | 311.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.18854 |
| Heavy Atoms | 23 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 439129-13-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(CN2CCC3=CC=CC=C3C2)O)C |
| InChIKey | YEBQOZKWVDRCKW-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol (CAS 439129-13-2), with molecular formula C20H25NO2 and molecular weight 311.19 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethylphenoxy)propan-2-ol.
Chemical Property Profile of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol
Property Insights of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol
The XLogP value of 3.6 indicates that 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol has 1 hydrogen bond donor(s) and 3 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 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol?
The CAS number of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol is 439129-13-2.
What is the molecular formula of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol?
The molecular formula of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol is C20H25NO2.
What is the molecular weight of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol?
The molecular weight of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol is 311.19 g/mol.
Where can I buy 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol?
You can request a quote for 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethyl-phenoxy)-propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.