SH 966 BS
TL;DR: SH 966 BS (CAS 58138-24-2) is a chemical compound with molecular formula C17H22N4OS and molecular weight 330.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-piperazin-1-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide
Also Known As: SH 966 BS, S-H-966-BS, 1-(1-Oxido-4-thiomorpholino)-3-(1-piperazinyl)isoquinoline, 4-(3-piperazin-1-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide, 4-[3-(1-Piperazinyl)isoquinolin-1-yl]thiomorpholine 1-oxide
| Molecular Formula | C17H22N4OS |
|---|---|
| Molecular Weight | 330.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.15143 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 58138-24-2 |
|---|---|
| SMILES | C1CN(CCN1)C2=CC3=CC=CC=C3C(=N2)N4CCS(=O)CC4 |
| InChIKey | DMQFFNUCAGFFGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SH 966 BS (CAS 58138-24-2), with molecular formula C17H22N4OS and molecular weight 330.15 g/mol. IUPAC: 4-(3-piperazin-1-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide.
Chemical Property Profile of SH 966 BS
Property Insights of SH 966 BS
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SH 966 BS. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for SH 966 BS. Following Lipinski's Rule of Five, SH 966 BS has 1 hydrogen bond donor(s) and 6 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 SH 966 BS?
The CAS number of SH 966 BS is 58138-24-2.
What is the molecular formula of SH 966 BS?
The molecular formula of SH 966 BS is C17H22N4OS.
What is the molecular weight of SH 966 BS?
The molecular weight of SH 966 BS is 330.15 g/mol.
Where can I buy SH 966 BS?
You can request a quote for SH 966 BS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SH 966 BS?
Yes, KEHONG BIO provides custom synthesis services for SH 966 BS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.