2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide
TL;DR: 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide (CAS 958845-96-0) is a chemical compound with molecular formula C24H32N2O5 and molecular weight 428.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(furan-2-ylmethyl)acetamide
Also Known As: 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide, 2-[(1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(furan-2-ylmethyl)acetamide, 2-[(1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C24H32N2O5 |
|---|---|
| Molecular Weight | 428.23 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.2311 |
| Heavy Atoms | 31 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 958845-96-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2CC(=O)NCC4=CC=CO4)O)O |
| InChIKey | WDKOYUXCNXWJDP-IGKWTDBASA-N |
Product Overview
2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide (CAS 958845-96-0), with molecular formula C24H32N2O5 and molecular weight 428.23 g/mol. IUPAC: 2-[(1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide
Property Insights of 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide has 3 hydrogen bond donor(s) and 6 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-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide?
The CAS number of 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide is 958845-96-0.
What is the molecular formula of 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide?
The molecular formula of 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide is C24H32N2O5.
What is the molecular weight of 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide?
The molecular weight of 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide is 428.23 g/mol.
Where can I buy 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide?
You can request a quote for 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.