KN 04
TL;DR: KN 04 (CAS 129695-80-3) is a chemical compound with molecular formula C37H35N5O5S2 and molecular weight 693.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
Also Known As: KN 04, N-(1-(P-(5-Isoquinolinesulfonyl)benzyl)-2-(4-phenylpiperazinyl)ethyl)-5-isoquinolinesulfonamide, [4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate, 4-(2-((5-Isoquinolinylsulfonyl)amino)-3-(4-phenyl-1-piperazinyl)propyl)phenyl 5-isoquinolinesulfonate, 4-(2-(Isoquinoline-5-sulfonamido)-3-(4-phenylpiperazin-1-yl)propyl)phenyl isoquinoline-5-sulfonate
| Molecular Formula | C37H35N5O5S2 |
|---|---|
| Molecular Weight | 693.21 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 693.20795 |
| Heavy Atoms | 49 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 129695-80-3 |
|---|---|
| SMILES | C1CN(CCN1CC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6)C7=CC=CC=C7 |
| InChIKey | IWWLVIDLFHBQER-UHFFFAOYSA-N |
Product Overview
KN 04 (CAS 129695-80-3), with molecular formula C37H35N5O5S2 and molecular weight 693.21 g/mol. IUPAC: [4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate.
Chemical Property Profile of KN 04
Property Insights of KN 04
The XLogP value of 6.0 indicates that KN 04 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KN 04. Following Lipinski's Rule of Five, KN 04 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KN 04?
The CAS number of KN 04 is 129695-80-3.
What is the molecular formula of KN 04?
The molecular formula of KN 04 is C37H35N5O5S2.
What is the molecular weight of KN 04?
The molecular weight of KN 04 is 693.21 g/mol.
Where can I buy KN 04?
You can request a quote for KN 04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KN 04?
Yes, KEHONG BIO provides custom synthesis services for KN 04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.