1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
TL;DR: 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol (CAS 1164523-31-2) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
Also Known As: 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol, BAS 01900791, 1-(2,3,4-Trimethoxy-phenyl)-octahydro-isoquinolin-4a-ol, 4a(2H)-isoquinolinol, octahydro-1-(2,3,4-trimethoxyphenyl)-, 1-(2,3,4-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 1164523-31-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2C3CCCCC3(CCN2)O)OC)OC |
| InChIKey | QDBBFORVWWODCU-UHFFFAOYSA-N |
Product Overview
1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol (CAS 1164523-31-2), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: 1-(2,3,4-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.
Chemical Property Profile of 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Property Insights of 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol. Following Lipinski's Rule of Five, 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol has 2 hydrogen bond donor(s) and 5 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-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
The CAS number of 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol is 1164523-31-2.
What is the molecular formula of 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
The molecular formula of 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol is C18H27NO4.
What is the molecular weight of 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
The molecular weight of 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol is 321.19 g/mol.
Where can I buy 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
You can request a quote for 1-(2,3,4-Trimethoxyphenyl)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 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,4-Trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.