![N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺 structure](/static/products/1272/127243-85-0.webp)
N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺
TL;DR: N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺 (CAS 127243-85-0) is a chemical compound with molecular formula C20H20BrN3O2S and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺
N-[2-[3-(4-bromophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide
Also Known As: H-89, Dihydrochloride, H-89 DIHYDROCHLORIDE, h-89, Protein kinase inhibitor H-89, H 89
| Molecular Formula | C20H20BrN3O2S |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.04596 |
| Heavy Atoms | 27 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 127243-85-0 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC3=CC=C(C=C3)Br |
| InChIKey | ZKZXNDJNWUTGDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺 (CAS 127243-85-0), with molecular formula C20H20BrN3O2S and molecular weight 445.05 g/mol. IUPAC: N-[2-[3-(4-bromophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide.
Chemical Property Profile of N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺
Property Insights of N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺
The XLogP value of 3.5 indicates that N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺. Following Lipinski's Rule of Five, N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺 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-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺?
The CAS number of N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺 is 127243-85-0.
What is the molecular formula of N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺?
The molecular formula of N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺 is C20H20BrN3O2S.
What is the molecular weight of N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺?
The molecular weight of N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺 is 445.05 g/mol.
Where can I buy N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺?
You can request a quote for N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-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 N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-溴肉桂氨基)乙基]异喹啉-5-磺酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.