N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
TL;DR: N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide (CAS 93413-70-8) is a chemical compound with molecular formula C11H12ClN3O2S and molecular weight 285.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
Also Known As: N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulfonamide, CKI-7 (free base), 2csn, CKI-7 free base, CKI 7 Dihydrochloride
| Molecular Formula | C11H12ClN3O2S |
|---|---|
| Molecular Weight | 285.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.03387 |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 93413-70-8 |
|---|---|
| SMILES | C1=CC(=C2C=CN=CC2=C1S(=O)(=O)NCCN)Cl |
| InChIKey | OGKYMFFYOWUTKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide (CAS 93413-70-8), with molecular formula C11H12ClN3O2S and molecular weight 285.03 g/mol. IUPAC: N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide.
Chemical Property Profile of N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
Property Insights of N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide. Following Lipinski's Rule of Five, N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide has 2 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 N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide?
The CAS number of N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide is 93413-70-8.
What is the molecular formula of N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide?
The molecular formula of N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide is C11H12ClN3O2S.
What is the molecular weight of N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide?
The molecular weight of N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide is 285.03 g/mol.
Where can I buy N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide?
You can request a quote for N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.