2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 72809-42-8) is a chemical compound with molecular formula C16H14ClNO and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: BIM-0000052.P001, 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline, (2-chlorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone, 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline #, 2-chlorophenyl 2-1,2,3,4-tetrahydroisoquinolyl ketone
| Molecular Formula | C16H14ClNO |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.0764 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 72809-42-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl |
| InChIKey | KOMIWKBMNBXJQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 72809-42-8), with molecular formula C16H14ClNO and molecular weight 271.08 g/mol. IUPAC: (2-chlorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.5 indicates that 2-(2-Chlorobenzoyl)-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 20.3 Ų, 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorobenzoyl)-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-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline is 72809-42-8.
What is the molecular formula of 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline is C16H14ClNO.
What is the molecular weight of 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline is 271.08 g/mol.
Where can I buy 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(2-Chlorobenzoyl)-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-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.