2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
TL;DR: 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CAS 956809-37-3) is a chemical compound with molecular formula C26H33NO3 and molecular weight 407.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
Also Known As: 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol, (1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
| Molecular Formula | C26H33NO3 |
|---|---|
| Molecular Weight | 407.25 g/mol |
| LogP | 5.0853 |
| Topological Polar Surface Area | 41.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.24603 |
| Heavy Atoms | 30 |
| Complexity | 865.83734 |
Chemical Identifiers
| CAS Number | 956809-37-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2C/C=C/C4=CC=CC=C4)O)OC |
Product Overview
2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CAS 956809-37-3), with molecular formula C26H33NO3 and molecular weight 407.25 g/mol. IUPAC: (1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
Chemical Property Profile of 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
Property Insights of 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
The XLogP value of 5.0853 indicates that 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.93 Ų, 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The CAS number of 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is 956809-37-3.
What is the molecular formula of 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The molecular formula of 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is C26H33NO3.
What is the molecular weight of 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The molecular weight of 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is 407.25 g/mol.
Where can I buy 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
You can request a quote for 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-cinnamyl-1-(2,4-dimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.