1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol
TL;DR: 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol (CAS 63477-92-9) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxyphenyl)methyl]-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
Also Known As: 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol, 1-(4-Methoxybenzyl)decahydroisoquinolin-4a-ol, BAS 06970575, 1-(4-Methoxy-benzyl)-octahydro-isochinolin-4a-ol, 1-(p-Methoxybenzyl)octahydroisoquinolin-4a(4H)-ol
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 63477-92-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2C3CCCCC3(CCN2)O |
| InChIKey | PANQQHGRCGEZCM-UHFFFAOYSA-N |
Product Overview
1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol (CAS 63477-92-9), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 1-[(4-methoxyphenyl)methyl]-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.
Chemical Property Profile of 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol
Property Insights of 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol. With a topological polar surface area (TPSA) of 41.5 Ų, 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol has 2 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 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol?
The CAS number of 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol is 63477-92-9.
What is the molecular formula of 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol?
The molecular formula of 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol is C17H25NO2.
What is the molecular weight of 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol?
The molecular weight of 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol is 275.19 g/mol.
Where can I buy 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol?
You can request a quote for 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.