8-氯四氢异喹啉-7-磺酰胺
TL;DR: 8-氯四氢异喹啉-7-磺酰胺 (CAS 855-98-1) is a chemical compound with molecular formula C9H11ClN2O2S and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-氯四氢异喹啉-7-磺酰胺
8-chloro-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Also Known As: Skf 83593, 8-Chloro-tetrahydroisoquinoline-7-sulfonamide, SK&F-83593, 8-chloro-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide, SK&F 83593
| Molecular Formula | C9H11ClN2O2S |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.02298 |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 855-98-1 |
|---|---|
| SMILES | C1CNCC2=C1C=CC(=C2Cl)S(=O)(=O)N |
| InChIKey | ZEUSRHFVPLVPCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-氯四氢异喹啉-7-磺酰胺 (CAS 855-98-1), with molecular formula C9H11ClN2O2S and molecular weight 246.02 g/mol. IUPAC: 8-chloro-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.
Chemical Property Profile of 8-氯四氢异喹啉-7-磺酰胺
Property Insights of 8-氯四氢异喹啉-7-磺酰胺
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-氯四氢异喹啉-7-磺酰胺. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-氯四氢异喹啉-7-磺酰胺. Following Lipinski's Rule of Five, 8-氯四氢异喹啉-7-磺酰胺 has 2 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-氯四氢异喹啉-7-磺酰胺?
The CAS number of 8-氯四氢异喹啉-7-磺酰胺 is 855-98-1.
What is the molecular formula of 8-氯四氢异喹啉-7-磺酰胺?
The molecular formula of 8-氯四氢异喹啉-7-磺酰胺 is C9H11ClN2O2S.
What is the molecular weight of 8-氯四氢异喹啉-7-磺酰胺?
The molecular weight of 8-氯四氢异喹啉-7-磺酰胺 is 246.02 g/mol.
Where can I buy 8-氯四氢异喹啉-7-磺酰胺?
You can request a quote for 8-氯四氢异喹啉-7-磺酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-氯四氢异喹啉-7-磺酰胺?
Yes, KEHONG BIO provides custom synthesis services for 8-氯四氢异喹啉-7-磺酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.