2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline
TL;DR: 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 376377-13-8) is a chemical compound with molecular formula C18H16Cl2N2 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
Also Known As: 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline, 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 2-[(3,4-dichlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
| Molecular Formula | C18H16Cl2N2 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.06906 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 376377-13-8 |
|---|---|
| SMILES | C1CN(CC2=C1C3=CC=CC=C3N2)CC4=CC(=C(C=C4)Cl)Cl |
| InChIKey | MIKNQTKUGWCJQH-UHFFFAOYSA-N |
Product Overview
2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 376377-13-8), with molecular formula C18H16Cl2N2 and molecular weight 330.07 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole.
Chemical Property Profile of 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Property Insights of 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline
The XLogP value of 4.7 indicates that 2-(3,4-dichlorobenzyl)-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 19.0 Ų, 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline has 1 hydrogen bond donor(s) and 1 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-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The CAS number of 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline is 376377-13-8.
What is the molecular formula of 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular formula of 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline is C18H16Cl2N2.
What is the molecular weight of 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
The molecular weight of 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline is 330.07 g/mol.
Where can I buy 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
You can request a quote for 2-(3,4-dichlorobenzyl)-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 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dichlorobenzyl)-2,3,4,9-tetrahydro-1H-beta-carboline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.