trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline
TL;DR: trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline (CAS 57464-39-8) is a chemical compound with molecular formula C17H21Cl2NO2 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-dichlorobenzoate
Also Known As: trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline, trans-Decahydro-2-methyl-6-isoquinolinol 3,4-dichlorobenzoate, cis-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline, 6-ISOQUINOLINOL, DECAHYDRO-2-METHYL-, 3,4-DICHLOROBENZOATE, (E)-, cis-Decahydro-2-methyl-6-isoquinolinol 3,4-dichlorobenzoate
| Molecular Formula | C17H21Cl2NO2 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.09494 |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 57464-39-8 |
|---|---|
| SMILES | CN1CCC2CC(CCC2C1)OC(=O)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | AJOVZKGFRZEWHS-UHFFFAOYSA-N |
Product Overview
trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline (CAS 57464-39-8), with molecular formula C17H21Cl2NO2 and molecular weight 341.09 g/mol. IUPAC: (2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-dichlorobenzoate.
Chemical Property Profile of trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline
Property Insights of trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline
The XLogP value of 4.6 indicates that trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline has 0 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 trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline?
The CAS number of trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline is 57464-39-8.
What is the molecular formula of trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline?
The molecular formula of trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline is C17H21Cl2NO2.
What is the molecular weight of trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline?
The molecular weight of trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline is 341.09 g/mol.
Where can I buy trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline?
You can request a quote for trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.