NCIStruc1_000317
TL;DR: NCIStruc1_000317 (CAS 32728-50-0) is a chemical compound with molecular formula C44H20N2O8 and molecular weight 704.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-(1,3-dioxoisoindol-2-yl)-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-2-yl]isoindole-1,3-dione
Also Known As: NCIStruc1_000317, NCIStruc2_000197, NCI60_000343, 2-[1-[2-(1,3-dioxoisoindol-2-yl)-9,10-dioxo-anthracen-1-yl]-9,10-dioxo-anthracen-2-yl]isoindole-1,3-dione, 2,2 -Di(1,3-dioxoisoindolin-2-yl)-1,1 -bianthraquinone
| Molecular Formula | C44H20N2O8 |
|---|---|
| Molecular Weight | 704.12 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 704.12195 |
| Heavy Atoms | 54 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 32728-50-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C6=C(C=CC7=C6C(=O)C8=CC=CC=C8C7=O)N9C(=O)C1=CC=CC=C1C9=O |
| InChIKey | JHXNRNVAKGDKPF-UHFFFAOYSA-N |
Product Overview
NCIStruc1_000317 (CAS 32728-50-0), with molecular formula C44H20N2O8 and molecular weight 704.12 g/mol. IUPAC: 2-[1-[2-(1,3-dioxoisoindol-2-yl)-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-2-yl]isoindole-1,3-dione.
Chemical Property Profile of NCIStruc1_000317
Property Insights of NCIStruc1_000317
The XLogP value of 6.5 indicates that NCIStruc1_000317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting NCIStruc1_000317 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCIStruc1_000317 has 0 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 NCIStruc1_000317?
The CAS number of NCIStruc1_000317 is 32728-50-0.
What is the molecular formula of NCIStruc1_000317?
The molecular formula of NCIStruc1_000317 is C44H20N2O8.
What is the molecular weight of NCIStruc1_000317?
The molecular weight of NCIStruc1_000317 is 704.12 g/mol.
Where can I buy NCIStruc1_000317?
You can request a quote for NCIStruc1_000317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_000317?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_000317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.