Isoquinoline, 1,2,3,4-tetrahydro-2-propyl-
TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-2-propyl- (CAS 57928-05-9) 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.
2-propyl-3,4-dihydro-1H-isoquinoline
Also Known As: 1,2,3,4-Tetrahydro-2-propylisoquinoline, 2-propyl-3,4-dihydro-1H-isoquinoline, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-PROPYL-, 2-Propyl-1,2,3,4-tetrahydroisoquinoline, 5-20-06-00322 (Beilstein Handbook Reference)
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 57928-05-9 |
|---|---|
| SMILES | CCCN1CCC2=CC=CC=C2C1 |
| InChIKey | CCIQJYJAIYBYEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline, 1,2,3,4-tetrahydro-2-propyl- (CAS 57928-05-9), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 2-propyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of Isoquinoline, 1,2,3,4-tetrahydro-2-propyl-
Property Insights of Isoquinoline, 1,2,3,4-tetrahydro-2-propyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 1,2,3,4-tetrahydro-2-propyl-. With a topological polar surface area (TPSA) of 3.2 Ų, Isoquinoline, 1,2,3,4-tetrahydro-2-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-2-propyl- 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 Isoquinoline, 1,2,3,4-tetrahydro-2-propyl-?
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-2-propyl- is 57928-05-9.
What is the molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-propyl-?
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-propyl- is C12H17N.
What is the molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-propyl-?
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-propyl- is 175.14 g/mol.
Where can I buy Isoquinoline, 1,2,3,4-tetrahydro-2-propyl-?
You can request a quote for Isoquinoline, 1,2,3,4-tetrahydro-2-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1,2,3,4-tetrahydro-2-propyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1,2,3,4-tetrahydro-2-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.