(1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride
TL;DR: (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride (CAS 5115-75-3) is a chemical compound with molecular formula C18H28ClNO4 and molecular weight 357.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol chloride
Also Known As: (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride, (1S,4aS,8aR)-4a-Hydroxy-1-(3,4,5-trimethoxyphenyl)decahydroisoquinolin-2-ium chloride, (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol Chloride, (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol chloride, Cambridge id 5115753
| Molecular Formula | C18H28ClNO4 |
|---|---|
| Molecular Weight | 357.17 g/mol |
| LogP | -1.3541 |
| Topological Polar Surface Area | 64.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.1707 |
| Heavy Atoms | 24 |
| Complexity | 538.9449 |
Chemical Identifiers
| CAS Number | 5115-75-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3CCCC[C@@]3(CC[NH2+]2)O.[Cl-] |
Product Overview
(1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride (CAS 5115-75-3), with molecular formula C18H28ClNO4 and molecular weight 357.17 g/mol. IUPAC: (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol chloride.
Chemical Property Profile of (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride
Property Insights of (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride
The XLogP value of -1.3541 indicates that (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride. Following Lipinski's Rule of Five, (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride 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 (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride?
The CAS number of (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride is 5115-75-3.
What is the molecular formula of (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride?
The molecular formula of (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride is C18H28ClNO4.
What is the molecular weight of (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride?
The molecular weight of (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride is 357.17 g/mol.
Where can I buy (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride?
You can request a quote for (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride?
Yes, KEHONG BIO provides custom synthesis services for (1S,4aS,8aR)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol;chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.