NCI60_029802
TL;DR: NCI60_029802 (CAS 769099-98-1) is a chemical compound with molecular formula C36H40N6O6+2 and molecular weight 652.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[2-[dimethyl-[(4-nitrophenyl)methyl]azaniumyl]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium
Also Known As: NCI60_029802, 1,4-Bis((2-((4-(hydroxy(oxido)amino)benzyl)(dimethyl)-lambda~5~-azanyl)ethyl)amino)anthra-9,10-quinone hydrochloride, 2-[[4-[2-[dimethyl-[(4-nitrophenyl)methyl]ammonio]ethylamino]-9,10-dioxo-1-anthryl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]ammonium, 2-[[4-[2-[dimethyl-[(4-nitrophenyl)methyl]azaniumyl]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium, Benzenemethanaminium, N,Na(2)-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-2,1-ethanediyl)]bis[N,N-dimethyl-4-nitro-
| Molecular Formula | C36H40N6O6+2 |
|---|---|
| Molecular Weight | 652.30 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 652.3009 |
| Heavy Atoms | 48 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 769099-98-1 |
|---|---|
| SMILES | C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4C2=O)CC5=CC=C(C=C5)[N+](=O)[O-] |
| InChIKey | GNWRWPOFZCATNN-UHFFFAOYSA-P |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCI60_029802 (CAS 769099-98-1), with molecular formula C36H40N6O6+2 and molecular weight 652.30 g/mol. IUPAC: 2-[[4-[2-[dimethyl-[(4-nitrophenyl)methyl]azaniumyl]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium.
Chemical Property Profile of NCI60_029802
Property Insights of NCI60_029802
The XLogP value of 6.7 indicates that NCI60_029802 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting NCI60_029802 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_029802 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_029802?
The CAS number of NCI60_029802 is 769099-98-1.
What is the molecular formula of NCI60_029802?
The molecular formula of NCI60_029802 is C36H40N6O6+2.
What is the molecular weight of NCI60_029802?
The molecular weight of NCI60_029802 is 652.30 g/mol.
Where can I buy NCI60_029802?
You can request a quote for NCI60_029802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_029802?
Yes, KEHONG BIO provides custom synthesis services for NCI60_029802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.