2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide
TL;DR: 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide (CAS 1009487-35-7) is a chemical compound with molecular formula C20H29FN2O2 and molecular weight 348.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-propylacetamide
Also Known As: 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide, 2-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-propylacetamide, 2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-propyl-acetamide, 2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-propylacetamide
| Molecular Formula | C20H29FN2O2 |
|---|---|
| Molecular Weight | 348.22 g/mol |
| LogP | 3.02 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.2213 |
| Heavy Atoms | 25 |
| Complexity | 591.8639 |
Chemical Identifiers
| CAS Number | 1009487-35-7 |
|---|---|
| SMILES | CCCNC(=O)CN1CCC2(CCCCC2C1C3=CC=C(C=C3)F)O |
Product Overview
2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide (CAS 1009487-35-7), with molecular formula C20H29FN2O2 and molecular weight 348.22 g/mol. IUPAC: 2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-propylacetamide.
Chemical Property Profile of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide
Property Insights of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide
The XLogP value of 3.02 indicates that 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.57 Ų, 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide has 2 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 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide?
The CAS number of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide is 1009487-35-7.
What is the molecular formula of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide?
The molecular formula of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide is C20H29FN2O2.
What is the molecular weight of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide?
The molecular weight of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide is 348.22 g/mol.
Where can I buy 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide?
You can request a quote for 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-propylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.