Isoquinoline, 1-isobutyl-
TL;DR: Isoquinoline, 1-isobutyl- (CAS 7661-40-7) is a chemical compound with molecular formula C13H15N and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropyl)isoquinoline
Also Known As: 1-Isobutylisoquinoline, Isoquinoline, 1-isobutyl-, 1-Isobutylisoquinoline #, 1-(2-methylpropyl)isoquinoline
| Molecular Formula | C13H15N |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.12045 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 7661-40-7 |
|---|---|
| SMILES | CC(C)CC1=NC=CC2=CC=CC=C21 |
| InChIKey | ILBZMIKXUUXIHC-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 1-isobutyl- (CAS 7661-40-7), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 1-(2-methylpropyl)isoquinoline.
Chemical Property Profile of Isoquinoline, 1-isobutyl-
Property Insights of Isoquinoline, 1-isobutyl-
The XLogP value of 3.7 indicates that Isoquinoline, 1-isobutyl- 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-isobutyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1-isobutyl- 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-isobutyl-?
The CAS number of Isoquinoline, 1-isobutyl- is 7661-40-7.
What is the molecular formula of Isoquinoline, 1-isobutyl-?
The molecular formula of Isoquinoline, 1-isobutyl- is C13H15N.
What is the molecular weight of Isoquinoline, 1-isobutyl-?
The molecular weight of Isoquinoline, 1-isobutyl- is 185.12 g/mol.
Where can I buy Isoquinoline, 1-isobutyl-?
You can request a quote for Isoquinoline, 1-isobutyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1-isobutyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1-isobutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.