1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline
TL;DR: 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 114926-78-2) is a chemical compound with molecular formula C19H20N2O and molecular weight 292.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline, 1-[(3-METHOXYPHENYL)METHYL]-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE, 1-(3-Methoxy-benzyl)-2,3,4,9-tetrahydro-1H-beta-carboline, 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline, 1-[(3-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
| Molecular Formula | C19H20N2O |
|---|---|
| Molecular Weight | 292.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.15756 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 114926-78-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CC2C3=C(CCN2)C4=CC=CC=C4N3 |
| InChIKey | GVVVUTQKKBTPEY-UHFFFAOYSA-N |
Product Overview
1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 114926-78-2), with molecular formula C19H20N2O and molecular weight 292.16 g/mol. IUPAC: 1-[(3-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Chemical Property Profile of 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Property Insights of 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline
The XLogP value of 3.4 indicates that 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.1 Ų, 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline has 2 hydrogen bond donor(s) and 2 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-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The CAS number of 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline is 114926-78-2.
What is the molecular formula of 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular formula of 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline is C19H20N2O.
What is the molecular weight of 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular weight of 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline is 292.16 g/mol.
Where can I buy 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
You can request a quote for 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxybenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.