1-Isopropyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline (CAS 77796-20-4) is a chemical compound with molecular formula C12H17N and molecular weight 175.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
Also Known As: 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline, 1-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline, 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline, 1-Isopropyl-1,2,3,4-tetrahydro-isoquinoline, Isoquinoline,1,2,3,4-tetrahydro-1- -
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 77796-20-4 |
|---|---|
| SMILES | CC(C)C1C2=CC=CC=C2CCN1 |
| InChIKey | ZGSAVXFMPOZYTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isopropyl-1,2,3,4-tetrahydroisoquinoline (CAS 77796-20-4), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 12.0 Ų, 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline 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 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline is 77796-20-4.
What is the molecular formula of 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline is C12H17N.
What is the molecular weight of 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline is 175.14 g/mol.
Where can I buy 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1-Isopropyl-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 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.