1-(5-异喹啉磺酰基)哌嗪
TL;DR: 1-(5-异喹啉磺酰基)哌嗪 (CAS 84468-24-6) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-异喹啉磺酰基)哌嗪
5-piperazin-1-ylsulfonylisoquinoline
Also Known As: 5-(piperazin-1-ylsulfonyl)isoquinoline, 1-(5-Isoquinolinesulfonyl)piperazine, HA 100 (pharmaceutical), IQSP, C-I-QP
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 84468-24-6 |
|---|---|
| SMILES | C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3 |
| InChIKey | UPTYCYWTFGTCCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-异喹啉磺酰基)哌嗪 (CAS 84468-24-6), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: 5-piperazin-1-ylsulfonylisoquinoline.
Chemical Property Profile of 1-(5-异喹啉磺酰基)哌嗪
Property Insights of 1-(5-异喹啉磺酰基)哌嗪
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-异喹啉磺酰基)哌嗪. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-异喹啉磺酰基)哌嗪. Following Lipinski's Rule of Five, 1-(5-异喹啉磺酰基)哌嗪 has 1 hydrogen bond donor(s) and 5 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 1-(5-异喹啉磺酰基)哌嗪?
The CAS number of 1-(5-异喹啉磺酰基)哌嗪 is 84468-24-6.
What is the molecular formula of 1-(5-异喹啉磺酰基)哌嗪?
The molecular formula of 1-(5-异喹啉磺酰基)哌嗪 is C13H15N3O2S.
What is the molecular weight of 1-(5-异喹啉磺酰基)哌嗪?
The molecular weight of 1-(5-异喹啉磺酰基)哌嗪 is 277.09 g/mol.
Where can I buy 1-(5-异喹啉磺酰基)哌嗪?
You can request a quote for 1-(5-异喹啉磺酰基)哌嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-异喹啉磺酰基)哌嗪?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-异喹啉磺酰基)哌嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.