![(2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one structure](/static/products/957/957006-34-7.png)
(2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
TL;DR: (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one (CAS 957006-34-7) is a chemical compound with molecular formula C25H29NO3 and molecular weight 391.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenylprop-2-en-1-one
Also Known As: (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one, (E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenylprop-2-en-1-one
| Molecular Formula | C25H29NO3 |
|---|---|
| Molecular Weight | 391.21 g/mol |
| LogP | 4.6033 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.21475 |
| Heavy Atoms | 29 |
| Complexity | 878.64703 |
Chemical Identifiers
| CAS Number | 957006-34-7 |
|---|---|
| SMILES | COC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)/C=C/C4=CC=CC=C4)O |
Product Overview
(2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one (CAS 957006-34-7), with molecular formula C25H29NO3 and molecular weight 391.21 g/mol. IUPAC: (E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenylprop-2-en-1-one.
Chemical Property Profile of (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
Property Insights of (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
The XLogP value of 4.6033 indicates that (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one has 1 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 (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one?
The CAS number of (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one is 957006-34-7.
What is the molecular formula of (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one?
The molecular formula of (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one is C25H29NO3.
What is the molecular weight of (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one?
The molecular weight of (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one is 391.21 g/mol.
Where can I buy (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one?
You can request a quote for (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.