2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide
TL;DR: 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide (CAS 1005100-36-6) is a chemical compound with molecular formula C17H23FN2O2 and molecular weight 306.17 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]acetamide
Also Known As: A4013/0171125, 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide, 2-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide, 2-[2-(4-fluorophenyl)-6-hydroxy-3-azabicyclo[4.4.0]dec-3-yl]acetamide, 2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide
| Molecular Formula | C17H23FN2O2 |
|---|---|
| Molecular Weight | 306.17 g/mol |
| LogP | 1.9791 |
| Topological Polar Surface Area | 66.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.17435 |
| Heavy Atoms | 22 |
| Complexity | 548.09485 |
Chemical Identifiers
| CAS Number | 1005100-36-6 |
|---|---|
| SMILES | C1CCC2(CCN(C(C2C1)C3=CC=C(C=C3)F)CC(=O)N)O |
Product Overview
2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide (CAS 1005100-36-6), with molecular formula C17H23FN2O2 and molecular weight 306.17 g/mol. IUPAC: 2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide.
Chemical Property Profile of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide
Property Insights of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide
The XLogP value of 1.9791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide. The TPSA of 66.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide. Following Lipinski's Rule of Five, 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide 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)acetamide?
The CAS number of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide is 1005100-36-6.
What is the molecular formula of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide?
The molecular formula of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide is C17H23FN2O2.
What is the molecular weight of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide?
The molecular weight of 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide is 306.17 g/mol.
Where can I buy 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide?
You can request a quote for 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide 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)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.