8-Chloro-5-piperazin-1-ylsulfonylisoquinoline
TL;DR: 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline (CAS 110408-12-3) is a chemical compound with molecular formula C13H14ClN3O2S and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-5-piperazin-1-ylsulfonylisoquinoline
Also Known As: 8-chloro-5-piperazin-1-ylsulfonylisoquinoline, 8-Chloro-5-(piperazin-1-ylsulfonyl)isoquinoline, 1-(8-Chloro-5-isoquinolinesulfonyl)piperazine, Dihydrochloride, 8-chloro-5-piperazin-1-ylsulfonyl-isoquinoline, 1-(8-CHLORO-5-ISOQUINOLINE-SULFONYL)PIPERAZINE
| Molecular Formula | C13H14ClN3O2S |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 1.4821 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.04953 |
| Heavy Atoms | 20 |
| Complexity | 742.36475 |
Chemical Identifiers
| CAS Number | 110408-12-3 |
|---|---|
| SMILES | C1CN(CCN1)S(=O)(=O)C2=C3C=CN=CC3=C(C=C2)Cl |
Product Overview
8-Chloro-5-piperazin-1-ylsulfonylisoquinoline (CAS 110408-12-3), with molecular formula C13H14ClN3O2S and molecular weight 311.05 g/mol. IUPAC: 8-chloro-5-piperazin-1-ylsulfonylisoquinoline.
Chemical Property Profile of 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline
Property Insights of 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline
The XLogP value of 1.4821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline. Following Lipinski's Rule of Five, 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline has 1 hydrogen bond donor(s) and 4 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 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline?
The CAS number of 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline is 110408-12-3.
What is the molecular formula of 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline?
The molecular formula of 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline is C13H14ClN3O2S.
What is the molecular weight of 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline?
The molecular weight of 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline is 311.05 g/mol.
Where can I buy 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline?
You can request a quote for 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-5-piperazin-1-ylsulfonylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.