KSC-288-069-1_2012-03-18
TL;DR: KSC-288-069-1_2012-03-18 (CAS 840472-46-0) is a chemical compound with molecular formula C21H20BrN3O4S and molecular weight 489.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
Also Known As: KSC-288-069-1_2012-03-18, 4-bromo-N-[3-(4-methylpiperazin-1-yl)-1,4-dioxo-naphthalen-2-yl]benzenesulfonamide, 4-bromo-N-[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide, 4-bromo-N-(3-(4-methylpiperazin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)benzenesulfonamide, 4-bromo-N-[3-(4-methylpiperazin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]benzenesulfonamide
| Molecular Formula | C21H20BrN3O4S |
|---|---|
| Molecular Weight | 489.04 g/mol |
| LogP | 2.2656 |
| Topological Polar Surface Area | 86.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.0358 |
| Heavy Atoms | 30 |
| Complexity | 1151.0289 |
Chemical Identifiers
| CAS Number | 840472-46-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br |
Product Overview
KSC-288-069-1_2012-03-18 (CAS 840472-46-0), with molecular formula C21H20BrN3O4S and molecular weight 489.04 g/mol. IUPAC: 4-bromo-N-[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide.
Chemical Property Profile of KSC-288-069-1_2012-03-18
Property Insights of KSC-288-069-1_2012-03-18
The XLogP value of 2.2656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KSC-288-069-1_2012-03-18. The TPSA of 86.79 Ų falls within the moderate polarity range, balancing permeability and solubility for KSC-288-069-1_2012-03-18. Following Lipinski's Rule of Five, KSC-288-069-1_2012-03-18 has 1 hydrogen bond donor(s) and 6 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 KSC-288-069-1_2012-03-18?
The CAS number of KSC-288-069-1_2012-03-18 is 840472-46-0.
What is the molecular formula of KSC-288-069-1_2012-03-18?
The molecular formula of KSC-288-069-1_2012-03-18 is C21H20BrN3O4S.
What is the molecular weight of KSC-288-069-1_2012-03-18?
The molecular weight of KSC-288-069-1_2012-03-18 is 489.04 g/mol.
Where can I buy KSC-288-069-1_2012-03-18?
You can request a quote for KSC-288-069-1_2012-03-18 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-288-069-1_2012-03-18?
Yes, KEHONG BIO provides custom synthesis services for KSC-288-069-1_2012-03-18 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.