NCI60_003263
TL;DR: NCI60_003263 (CAS 71138-49-3) is a chemical compound with molecular formula C20H20N8O10S and molecular weight 564.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[8-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-dioxothionan-3-ylidene]amino]-2,4-dinitroaniline
Also Known As: NCI60_003263, N-[(E)-[(8E)-8-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-diox, N-[[8-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-dioxothionan-3-ylidene]amino]-2,4-dinitroaniline
| Molecular Formula | C20H20N8O10S |
|---|---|
| Molecular Weight | 564.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.1023 |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 71138-49-3 |
|---|---|
| SMILES | C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CS(=O)(=O)CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C1 |
| InChIKey | KODOIJDVBKKEEB-UHFFFAOYSA-N |
Product Overview
NCI60_003263 (CAS 71138-49-3), with molecular formula C20H20N8O10S and molecular weight 564.10 g/mol. IUPAC: N-[[8-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-dioxothionan-3-ylidene]amino]-2,4-dinitroaniline.
Chemical Property Profile of NCI60_003263
Property Insights of NCI60_003263
The XLogP value of 4.4 indicates that NCI60_003263 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 275.0 Ų indicates high polarity, suggesting NCI60_003263 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_003263 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_003263?
The CAS number of NCI60_003263 is 71138-49-3.
What is the molecular formula of NCI60_003263?
The molecular formula of NCI60_003263 is C20H20N8O10S.
What is the molecular weight of NCI60_003263?
The molecular weight of NCI60_003263 is 564.10 g/mol.
Where can I buy NCI60_003263?
You can request a quote for NCI60_003263 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003263?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.