NCIOpen2_008982
TL;DR: NCIOpen2_008982 (CAS 28058-09-5) is a chemical compound with molecular formula C13H12N8O4 and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-N-[2-[(5-nitro-2-pyridinyl)hydrazinylidene]propylideneamino]pyridin-2-amine
Also Known As: NCIOpen2_008982, 5-nitro-N-[(E)-[(2E)-2-[(5-nitropyridin-2-yl)hydrazinylidene, 5-nitro-N-[2-[(5-nitropyridin-2-yl)hydrazinylidene]propylideneamino]pyridin-2-amine
| Molecular Formula | C13H12N8O4 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 2.1787 |
| Topological Polar Surface Area | 160.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.09814 |
| Heavy Atoms | 25 |
| Complexity | 816.92755 |
Chemical Identifiers
| CAS Number | 28058-09-5 |
|---|---|
| SMILES | CC(=NNC1=NC=C(C=C1)[N+](=O)[O-])C=NNC2=NC=C(C=C2)[N+](=O)[O-] |
Product Overview
NCIOpen2_008982 (CAS 28058-09-5), with molecular formula C13H12N8O4 and molecular weight 344.10 g/mol. IUPAC: 5-nitro-N-[2-[(5-nitro-2-pyridinyl)hydrazinylidene]propylideneamino]pyridin-2-amine.
Chemical Property Profile of NCIOpen2_008982
Property Insights of NCIOpen2_008982
The XLogP value of 2.1787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_008982. The TPSA of 160.84 Ų indicates high polarity, suggesting NCIOpen2_008982 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCIOpen2_008982 has 2 hydrogen bond donor(s) and 10 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 NCIOpen2_008982?
The CAS number of NCIOpen2_008982 is 28058-09-5.
What is the molecular formula of NCIOpen2_008982?
The molecular formula of NCIOpen2_008982 is C13H12N8O4.
What is the molecular weight of NCIOpen2_008982?
The molecular weight of NCIOpen2_008982 is 344.10 g/mol.
Where can I buy NCIOpen2_008982?
You can request a quote for NCIOpen2_008982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008982?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.