2-Acetyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-Acetyl-1,2,3,4-tetrahydroisoquinoline (CAS 14028-67-2) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: 2-Acetyl-1,2,3,4-tetrahydroisoquinoline, 2-acetyldihydroisoquinoline, TimTec1_003175, 1-[3,4-Dihydroisoquinoline-2(1H)-yl]ethanone, 1-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ETHANONE
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 14028-67-2 |
|---|---|
| SMILES | CC(=O)N1CCC2=CC=CC=C2C1 |
| InChIKey | JBPPSLURCSFQDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-1,2,3,4-tetrahydroisoquinoline (CAS 14028-67-2), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 20.3 Ų, 2-Acetyl-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-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-Acetyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline is 14028-67-2.
What is the molecular formula of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline is C11H13NO.
What is the molecular weight of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline is 175.10 g/mol.
Where can I buy 2-Acetyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-Acetyl-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-Acetyl-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.