(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
TL;DR: (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol (CAS 1212290-79-3) is a chemical compound with molecular formula C17H25NO3 and molecular weight 291.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
Also Known As: (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol, (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
| Molecular Formula | C17H25NO3 |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 2.6595 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.18344 |
| Heavy Atoms | 21 |
| Complexity | 500.80862 |
Chemical Identifiers
| CAS Number | 1212290-79-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)[C@H]2[C@@H]3CCCC[C@@]3(CCN2)O |
Product Overview
(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol (CAS 1212290-79-3), with molecular formula C17H25NO3 and molecular weight 291.18 g/mol. IUPAC: (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.
Chemical Property Profile of (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Property Insights of (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
The XLogP value of 2.6595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol. With a topological polar surface area (TPSA) of 50.72 Ų, (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol has 2 hydrogen bond donor(s) and 4 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 (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
The CAS number of (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol is 1212290-79-3.
What is the molecular formula of (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
The molecular formula of (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol is C17H25NO3.
What is the molecular weight of (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
The molecular weight of (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol is 291.18 g/mol.
Where can I buy (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
You can request a quote for (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
Yes, KEHONG BIO provides custom synthesis services for (1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.