NCI60_011259
TL;DR: NCI60_011259 (CAS 16705-13-8) is a chemical compound with molecular formula C14H14N6O6 and molecular weight 362.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(2,4-dinitrophenyl)hydrazinylidene]butyl]-1H-pyridazine-3,6-dione
Also Known As: NCI60_011259, 1-[3-[2-(2,4-Dinitrophenyl)hydrazinylidene]butyl]-1,2-dihydro-3,6-pyridazinedione, 1-{3-[2-(2,4-dinitrophenyl)hydrazinylidene]butyl}-1,2-dihydropyridazine-3,6-dione, 2-[3-[(2,4-dinitrophenyl)hydrazinylidene]butyl]-1H-pyridazine-3,6-dione
| Molecular Formula | C14H14N6O6 |
|---|---|
| Molecular Weight | 362.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.09747 |
| Heavy Atoms | 26 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 16705-13-8 |
|---|---|
| SMILES | CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCN2C(=O)C=CC(=O)N2 |
| InChIKey | BIPFPNMXWSKNLN-UHFFFAOYSA-N |
Product Overview
NCI60_011259 (CAS 16705-13-8), with molecular formula C14H14N6O6 and molecular weight 362.10 g/mol. IUPAC: 2-[3-[(2,4-dinitrophenyl)hydrazinylidene]butyl]-1H-pyridazine-3,6-dione.
Chemical Property Profile of NCI60_011259
Property Insights of NCI60_011259
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_011259. The TPSA of 165.0 Ų indicates high polarity, suggesting NCI60_011259 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_011259 has 2 hydrogen bond donor(s) and 8 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_011259?
The CAS number of NCI60_011259 is 16705-13-8.
What is the molecular formula of NCI60_011259?
The molecular formula of NCI60_011259 is C14H14N6O6.
What is the molecular weight of NCI60_011259?
The molecular weight of NCI60_011259 is 362.10 g/mol.
Where can I buy NCI60_011259?
You can request a quote for NCI60_011259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_011259?
Yes, KEHONG BIO provides custom synthesis services for NCI60_011259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.