乙硫酰丙喹
TL;DR: 乙硫酰丙喹 (CAS 37517-33-2) is a chemical compound with molecular formula C14H21NOS and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙硫酰丙喹
2-(3-ethylsulfinylpropyl)-3,4-dihydro-1H-isoquinoline
Also Known As: ESPROQUIN, Esproquina, Esproquinum, Esproquine [INN], Esproquinum [INN-Latin]
| Molecular Formula | C14H21NOS |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.13438 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 37517-33-2 |
|---|---|
| SMILES | CCS(=O)CCCN1CCC2=CC=CC=C2C1 |
| InChIKey | YKKQKMDOWYCXEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙硫酰丙喹 (CAS 37517-33-2), with molecular formula C14H21NOS and molecular weight 251.13 g/mol. IUPAC: 2-(3-ethylsulfinylpropyl)-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 乙硫酰丙喹
Property Insights of 乙硫酰丙喹
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙硫酰丙喹. With a topological polar surface area (TPSA) of 39.5 Ų, 乙硫酰丙喹 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙硫酰丙喹 has 0 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 乙硫酰丙喹?
The CAS number of 乙硫酰丙喹 is 37517-33-2.
What is the molecular formula of 乙硫酰丙喹?
The molecular formula of 乙硫酰丙喹 is C14H21NOS.
What is the molecular weight of 乙硫酰丙喹?
The molecular weight of 乙硫酰丙喹 is 251.13 g/mol.
Where can I buy 乙硫酰丙喹?
You can request a quote for 乙硫酰丙喹 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙硫酰丙喹?
Yes, KEHONG BIO provides custom synthesis services for 乙硫酰丙喹 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.