Esproquin Hydrochloride
TL;DR: Esproquin Hydrochloride (CAS 23486-22-8) is a chemical compound with molecular formula C14H22ClNOS and molecular weight 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethylsulfinylpropyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
Also Known As: Esproquin hydrochloride, Esproquin HCl, Esproquine hydrochloride, Esproquin hydrochloride [USAN], Esproquin hydrochloride (USAN)
| Molecular Formula | C14H22ClNOS |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 2.63 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.11105 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 23486-22-8 |
|---|---|
| SMILES | CCS(=O)CCCN1CCC2=CC=CC=C2C1.Cl |
| InChIKey | ATLSSFQKJXKSHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Esproquin Hydrochloride (CAS 23486-22-8), with molecular formula C14H22ClNOS and molecular weight 287.11 g/mol. IUPAC: 2-(3-ethylsulfinylpropyl)-3,4-dihydro-1H-isoquinoline;hydrochloride.
Chemical Property Profile of Esproquin Hydrochloride
Property Insights of Esproquin Hydrochloride
The XLogP value of 2.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Esproquin Hydrochloride. With a topological polar surface area (TPSA) of 39.5 Ų, Esproquin Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Esproquin Hydrochloride has 1 hydrogen bond donor(s) and 3 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 Esproquin Hydrochloride?
The CAS number of Esproquin Hydrochloride is 23486-22-8.
What is the molecular formula of Esproquin Hydrochloride?
The molecular formula of Esproquin Hydrochloride is C14H22ClNOS.
What is the molecular weight of Esproquin Hydrochloride?
The molecular weight of Esproquin Hydrochloride is 287.11 g/mol.
Where can I buy Esproquin Hydrochloride?
You can request a quote for Esproquin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esproquin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Esproquin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.