NCI60_032888
TL;DR: NCI60_032888 (CAS 1043418-97-8) is a chemical compound with molecular formula C26H28N6O4 and molecular weight 488.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-[(E)-2-(4-tert-butyl-3,5-dioxo-1,2,4-triazol-1-ium-1-yl)-1,2-diphenylethenyl]-5-oxo-1,2,4-triazol-3-olate
Also Known As: NCI60_032888, (1Z)-4-tert-butyl-1-[(2Z)-2-(4-tert-butyl-3,5-dioxo-4-aza-1-azonia-2-azanidacyclopent-1-ylidene)-1,2-diphenyl-ethylidene]-4-aza-1-azonia-2-azanidacyclopentane-3,5-dione, 1,2,4-Triazolidinium, 1,1'-[(1Z,2Z)-1,2-diphenyl-1,2-ethanediylidene]bis[4-(1,1-dimethylethyl)-3,5-dioxo-, inner salt, (1Z,1'Z)-, 4-tert-butyl-1-[(E)-2-(4-tert-butyl-3,5-dioxo-1,2,4-triazol-1-ium-1-yl)-1,2-diphenylethenyl]-5-oxo-1,2,4-triazol-3-olate, 4-tert-butyl-1-[2-(4-tert-butyl-3,5-dioxo-1,2,4-triazol-1-ium-1-yl)-1,2-diphenylethenyl]-5-oxo-1,2,4-triazol-3-olate
| Molecular Formula | C26H28N6O4 |
|---|---|
| Molecular Weight | 488.22 g/mol |
| LogP | 4.0663 |
| Topological Polar Surface Area | 115.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.2172 |
| Heavy Atoms | 36 |
| Complexity | 1452.0287 |
Chemical Identifiers
| CAS Number | 1043418-97-8 |
|---|---|
| SMILES | CC(C)(C)N1C(=NN(C1=O)/C(=C(\C2=CC=CC=C2)/[N+]3=NC(=O)N(C3=O)C(C)(C)C)/C4=CC=CC=C4)[O-] |
Product Overview
NCI60_032888 (CAS 1043418-97-8), with molecular formula C26H28N6O4 and molecular weight 488.22 g/mol. IUPAC: 4-tert-butyl-1-[(E)-2-(4-tert-butyl-3,5-dioxo-1,2,4-triazol-1-ium-1-yl)-1,2-diphenylethenyl]-5-oxo-1,2,4-triazol-3-olate.
Chemical Property Profile of NCI60_032888
Property Insights of NCI60_032888
The XLogP value of 4.0663 indicates that NCI60_032888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.63 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_032888. Following Lipinski's Rule of Five, NCI60_032888 has 0 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 NCI60_032888?
The CAS number of NCI60_032888 is 1043418-97-8.
What is the molecular formula of NCI60_032888?
The molecular formula of NCI60_032888 is C26H28N6O4.
What is the molecular weight of NCI60_032888?
The molecular weight of NCI60_032888 is 488.22 g/mol.
Where can I buy NCI60_032888?
You can request a quote for NCI60_032888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_032888?
Yes, KEHONG BIO provides custom synthesis services for NCI60_032888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.