2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate
TL;DR: 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate (CAS 18429-83-9) is a chemical compound with molecular formula C20H29NO5 and molecular weight 363.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate
Also Known As: 5-Isoquinolinol, decahydro-2-methyl-, 3,4,5-trimethoxybenzoate, 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate, trans-3,4,5-Trimethoxybenzoic acid decahydro-2-methyl-5-isoquinolyl ester, trans-9,10-t-5-H-5-(3,4,5-Trimethoxybenzoyloxy)-2-methyldecahydroisoquinoline, BENZOIC ACID, 3,4,5-TRIMETHOXY-, DECAHYDRO-2-METHYL-5-ISOQUINOLYL ESTER, trans-
| Molecular Formula | C20H29NO5 |
|---|---|
| Molecular Weight | 363.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.20456 |
| Heavy Atoms | 26 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 18429-83-9 |
|---|---|
| SMILES | CN1CC[C@H]2[C@H](C1)CCCC2OC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | ITPBBIALPUKKHC-JFXOEICMSA-N |
Product Overview
2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate (CAS 18429-83-9), with molecular formula C20H29NO5 and molecular weight 363.20 g/mol. IUPAC: [(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate
Property Insights of 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate
The XLogP value of 3.3 indicates that 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 6 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 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate?
The CAS number of 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate is 18429-83-9.
What is the molecular formula of 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate?
The molecular formula of 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate is C20H29NO5.
What is the molecular weight of 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate?
The molecular weight of 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate is 363.20 g/mol.
Where can I buy 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate?
You can request a quote for 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyldecahydroisoquinolin-5-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.