Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride
TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride (CAS 27160-30-1) is a chemical compound with molecular formula C11H15Cl2N and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 2-(2-Chloroethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-(2-CHLOROETHYL)-, HYDROCHLORIDE, Isoquinoline, 2-(2-chloroethyl)-1,2,3,4-tetrahydro-, hydrochloride, 2-(2-chloroethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, RefChem:1087711
| Molecular Formula | C11H15Cl2N |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | -2.13 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.05815 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 27160-30-1 |
|---|---|
| SMILES | C1C[NH+](CC2=CC=CC=C21)CCCl.[Cl-] |
| InChIKey | XICWDIADGJVYEU-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride (CAS 27160-30-1), with molecular formula C11H15Cl2N and molecular weight 231.06 g/mol. IUPAC: 2-(2-chloroethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride
Property Insights of Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride
The XLogP value of -2.13 indicates that Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride has 1 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-(2-chloroethyl)-, hydrochloride?
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride is 27160-30-1.
What is the molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride?
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride is C11H15Cl2N.
What is the molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride?
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride is 231.06 g/mol.
Where can I buy Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride?
You can request a quote for Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride 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-(2-chloroethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1,2,3,4-tetrahydro-2-(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.