1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride
TL;DR: 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride (CAS 101940-94-7) is a chemical compound with molecular formula C24H29ClN2O5 and molecular weight 460.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methyl 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride, 9H-Pyrido(3,4-b)indole-1-methanol, 1,2,3,4-tetrahydro-2-ethyl-, 3,4,5-trimethoxybenzoate(ester), hydrochloride, (2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methyl 3,4,5-trimethoxybenzoate hydrochloride, (2-Ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1), RefChem:313704
| Molecular Formula | C24H29ClN2O5 |
|---|---|
| Molecular Weight | 460.18 g/mol |
| LogP | 4.3916 |
| Topological Polar Surface Area | 73.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.1765 |
| Heavy Atoms | 32 |
| Complexity | 1072.1782 |
Chemical Identifiers
| CAS Number | 101940-94-7 |
|---|---|
| SMILES | CCN1CCC2=C(C1COC(=O)C3=CC(=C(C(=C3)OC)OC)OC)NC4=CC=CC=C24.Cl |
Product Overview
1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride (CAS 101940-94-7), with molecular formula C24H29ClN2O5 and molecular weight 460.18 g/mol. IUPAC: (2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methyl 3,4,5-trimethoxybenzoate;hydrochloride.
Chemical Property Profile of 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride
Property Insights of 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride
The XLogP value of 4.3916 indicates that 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride. Following Lipinski's Rule of Five, 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane 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
Frequently Asked Questions
What is the CAS number of 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride?
The CAS number of 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride is 101940-94-7.
What is the molecular formula of 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride?
The molecular formula of 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride is C24H29ClN2O5.
What is the molecular weight of 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride?
The molecular weight of 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride is 460.18 g/mol.
Where can I buy 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride?
You can request a quote for 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4,5-Trimethoxybenzoyloxymethyl)-2-ethyl-1,2,3,4-tetrahydronorharmane hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.