trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride
TL;DR: trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride (CAS 57464-37-6) is a chemical compound with molecular formula C20H30ClNO5 and molecular weight 399.18124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) 3,4,5-trimethoxybenzoate chloride
Also Known As: trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride, trans-Decahydro-2-methyl-6-isoquinolinol 3,4,5-trimethoxybenzoate hydrochloride, 6-Isoquinolinol, decahydro-2-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride, (E)-, Benzoic acid, 3,4,5-trimethoxy-, decahydro-2-methylisoquinolin-6-yl ester, HCl, trans-, (2-Methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl)3,4,5-trimethoxybenzoate chloride
Technical Specifications
| Molecular Formula | C20H30ClNO5 |
| Molecular Weight | 399.18124 g/mol |
| XLogP | -1.42 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.18124 Da |
| Heavy Atoms | 27 |
| Complexity | 459.0 |
| SMILES | C[NH+]1CCC2CC(CCC2C1)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-] |
| InChIKey | MGULVNWJHKOYIJ-UHFFFAOYSA-N |
Chemical Property Profile of trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride
Property Insights of trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride
The XLogP value of -1.42 indicates that trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride?
The CAS number of trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride is 57464-37-6.
What is the molecular formula of trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride?
The molecular formula of trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride is C20H30ClNO5.
What is the molecular weight of trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride?
The molecular weight of trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride is 399.18124 g/mol.
Where can I buy trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride?
You can request a quote for trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride?
Yes, CoreyChem provides custom synthesis services for trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.