2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 331845-83-1) is a chemical compound with molecular formula C16H14BrNO and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: BAS 00623320, 2-(4-bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline, (4-Bromophenyl)(3,4-dihydro-2(1H)-isoquinolinyl)methanone, (4-bromophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone, (4-bromophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
| Molecular Formula | C16H14BrNO |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 3.6476 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.02588 |
| Heavy Atoms | 19 |
| Complexity | 606.40094 |
Chemical Identifiers
| CAS Number | 331845-83-1 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Br |
Product Overview
2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 331845-83-1), with molecular formula C16H14BrNO and molecular weight 315.03 g/mol. IUPAC: (4-bromophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.6476 indicates that 2-(4-Bromobenzoyl)-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 20.31 Ų, 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromobenzoyl)-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-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline is 331845-83-1.
What is the molecular formula of 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline is C16H14BrNO.
What is the molecular weight of 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline is 315.03 g/mol.
Where can I buy 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(4-Bromobenzoyl)-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-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromobenzoyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.