2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline (CAS 101282-71-7) is a chemical compound with molecular formula C16H15Cl2N and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
Also Known As: 2-(2,4-dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline, 2-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline, 2-[(2,4-Dichlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C16H15Cl2N |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.05817 |
| Heavy Atoms | 19 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 101282-71-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl |
| InChIKey | JTZBCANVKZZGEK-UHFFFAOYSA-N |
Product Overview
2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline (CAS 101282-71-7), with molecular formula C16H15Cl2N and molecular weight 291.06 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 4.5 indicates that 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline has 0 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-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline is 101282-71-7.
What is the molecular formula of 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline is C16H15Cl2N.
What is the molecular weight of 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline is 291.06 g/mol.
Where can I buy 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dichlorobenzyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.