Isoquinoline, 1-propyl-
TL;DR: Isoquinoline, 1-propyl- (CAS 7661-37-2) is a chemical compound with molecular formula C12H13N and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propylisoquinoline
Also Known As: 1-Propylisoquinoline, Isoquinoline, 1-propyl-, 1-n-propylisoquinoline, 1-Propylisoquinoline #
| Molecular Formula | C12H13N |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 7661-37-2 |
|---|---|
| SMILES | CCCC1=NC=CC2=CC=CC=C21 |
| InChIKey | WGBFAILGFRYCLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline, 1-propyl- (CAS 7661-37-2), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: 1-propylisoquinoline.
Chemical Property Profile of Isoquinoline, 1-propyl-
Property Insights of Isoquinoline, 1-propyl-
The XLogP value of 3.3 indicates that Isoquinoline, 1-propyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, Isoquinoline, 1-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1-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-propyl-?
The CAS number of Isoquinoline, 1-propyl- is 7661-37-2.
What is the molecular formula of Isoquinoline, 1-propyl-?
The molecular formula of Isoquinoline, 1-propyl- is C12H13N.
What is the molecular weight of Isoquinoline, 1-propyl-?
The molecular weight of Isoquinoline, 1-propyl- is 171.10 g/mol.
Where can I buy Isoquinoline, 1-propyl-?
You can request a quote for Isoquinoline, 1-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-propyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.