Isoquinoline, 1-(2,2-dimethylpropyl)-
TL;DR: Isoquinoline, 1-(2,2-dimethylpropyl)- (CAS 55724-33-9) is a chemical compound with molecular formula C14H17N and molecular weight 199.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethylpropyl)isoquinoline
Also Known As: 1-Neopentylisoquinoline, 1-Neopentylisoquinoline #, 1-(2,2-dimethylpropyl)isoquinoline, Isoquinoline, 1-(2,2-dimethylpropyl)-
| Molecular Formula | C14H17N |
|---|---|
| Molecular Weight | 199.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.1361 |
| Heavy Atoms | 15 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 55724-33-9 |
|---|---|
| SMILES | CC(C)(C)CC1=NC=CC2=CC=CC=C21 |
| InChIKey | OPFFYDNTKKPJMI-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 1-(2,2-dimethylpropyl)- (CAS 55724-33-9), with molecular formula C14H17N and molecular weight 199.14 g/mol. IUPAC: 1-(2,2-dimethylpropyl)isoquinoline.
Chemical Property Profile of Isoquinoline, 1-(2,2-dimethylpropyl)-
Property Insights of Isoquinoline, 1-(2,2-dimethylpropyl)-
The XLogP value of 4.1 indicates that Isoquinoline, 1-(2,2-dimethylpropyl)- 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-(2,2-dimethylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1-(2,2-dimethylpropyl)- 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-(2,2-dimethylpropyl)-?
The CAS number of Isoquinoline, 1-(2,2-dimethylpropyl)- is 55724-33-9.
What is the molecular formula of Isoquinoline, 1-(2,2-dimethylpropyl)-?
The molecular formula of Isoquinoline, 1-(2,2-dimethylpropyl)- is C14H17N.
What is the molecular weight of Isoquinoline, 1-(2,2-dimethylpropyl)-?
The molecular weight of Isoquinoline, 1-(2,2-dimethylpropyl)- is 199.14 g/mol.
Where can I buy Isoquinoline, 1-(2,2-dimethylpropyl)-?
You can request a quote for Isoquinoline, 1-(2,2-dimethylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1-(2,2-dimethylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1-(2,2-dimethylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.