![2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide structure](/static/products/1005/1005118-39-7.webp)
2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide
TL;DR: 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide (CAS 1005118-39-7) is a chemical compound with molecular formula C24H36N2O4 and molecular weight 416.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-hexylacetamide
Also Known As: 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide, 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-hexylacetamide
| Molecular Formula | C24H36N2O4 |
|---|---|
| Molecular Weight | 416.27 g/mol |
| LogP | 3.7799 |
| Topological Polar Surface Area | 71.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.26752 |
| Heavy Atoms | 30 |
| Complexity | 739.91614 |
Chemical Identifiers
| CAS Number | 1005118-39-7 |
|---|---|
| SMILES | CCCCCCNC(=O)CN1CCC2(CCCCC2C1C3=CC4=C(C=C3)OCO4)O |
Product Overview
2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide (CAS 1005118-39-7), with molecular formula C24H36N2O4 and molecular weight 416.27 g/mol. IUPAC: 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-hexylacetamide.
Chemical Property Profile of 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide
Property Insights of 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide
The XLogP value of 3.7799 indicates that 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide. Following Lipinski's Rule of Five, 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide has 2 hydrogen bond donor(s) and 5 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-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide?
The CAS number of 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide is 1005118-39-7.
What is the molecular formula of 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide?
The molecular formula of 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide is C24H36N2O4.
What is the molecular weight of 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide?
The molecular weight of 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide is 416.27 g/mol.
Where can I buy 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide?
You can request a quote for 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-hexylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.