Isoquinoline, 1-chloro-3-ethyl-
TL;DR: Isoquinoline, 1-chloro-3-ethyl- (CAS 55150-52-2) is a chemical compound with molecular formula C11H10ClN and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-ethylisoquinoline
Also Known As: 1-Chloro-3-ethylisoquinoline, 3-Ethyl-1-chloroisoquinoline, Isoquinoline, 1-chloro-3-ethyl-, 1-Chloro-3-ethylisoquinoline #
| Molecular Formula | C11H10ClN |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05017 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 55150-52-2 |
|---|---|
| SMILES | CCC1=CC2=CC=CC=C2C(=N1)Cl |
| InChIKey | AECOSEZBHCJUTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline, 1-chloro-3-ethyl- (CAS 55150-52-2), with molecular formula C11H10ClN and molecular weight 191.05 g/mol. IUPAC: 1-chloro-3-ethylisoquinoline.
Chemical Property Profile of Isoquinoline, 1-chloro-3-ethyl-
Property Insights of Isoquinoline, 1-chloro-3-ethyl-
The XLogP value of 3.9 indicates that Isoquinoline, 1-chloro-3-ethyl- 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-chloro-3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1-chloro-3-ethyl- 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-chloro-3-ethyl-?
The CAS number of Isoquinoline, 1-chloro-3-ethyl- is 55150-52-2.
What is the molecular formula of Isoquinoline, 1-chloro-3-ethyl-?
The molecular formula of Isoquinoline, 1-chloro-3-ethyl- is C11H10ClN.
What is the molecular weight of Isoquinoline, 1-chloro-3-ethyl-?
The molecular weight of Isoquinoline, 1-chloro-3-ethyl- is 191.05 g/mol.
Where can I buy Isoquinoline, 1-chloro-3-ethyl-?
You can request a quote for Isoquinoline, 1-chloro-3-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1-chloro-3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1-chloro-3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.