NCIOpen2_004022
TL;DR: NCIOpen2_004022 (CAS 4939-44-0) is a chemical compound with molecular formula C14H16N4O2 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,6-dimethyl-1-oxopyridin-1-ium-4-ylidene)amino]-2,6-dimethyl-1-oxidopyridin-4-imine
Also Known As: NCIOpen2_004022, 2, 4,4'-azodi-, 1,1'-dioxide, N-[(2,6-dimethyl-1-oxopyridin-1-ium-4-ylidene)amino]-2,6-dimethyl-1-oxidopyridin-4-imine, 4-[(2,6-Dimethyl-1-oxopyridin-1-ium-4(1H)-ylidene)hydrazinylidene]-2,6-dimethylpyridin-1(4H)-olate
| Molecular Formula | C14H16N4O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | 2.30764 |
| Topological Polar Surface Area | 72.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.12732 |
| Heavy Atoms | 20 |
| Complexity | 685.78107 |
Chemical Identifiers
| CAS Number | 4939-44-0 |
|---|---|
| SMILES | CC1=CC(=NN=C2C=C([N+](=O)C(=C2)C)C)C=C(N1[O-])C |
Product Overview
NCIOpen2_004022 (CAS 4939-44-0), with molecular formula C14H16N4O2 and molecular weight 272.13 g/mol. IUPAC: N-[(2,6-dimethyl-1-oxopyridin-1-ium-4-ylidene)amino]-2,6-dimethyl-1-oxidopyridin-4-imine.
Chemical Property Profile of NCIOpen2_004022
Property Insights of NCIOpen2_004022
The XLogP value of 2.30764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_004022. The TPSA of 72.79 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_004022. Following Lipinski's Rule of Five, NCIOpen2_004022 has 0 hydrogen bond donor(s) and 4 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_004022?
The CAS number of NCIOpen2_004022 is 4939-44-0.
What is the molecular formula of NCIOpen2_004022?
The molecular formula of NCIOpen2_004022 is C14H16N4O2.
What is the molecular weight of NCIOpen2_004022?
The molecular weight of NCIOpen2_004022 is 272.13 g/mol.
Where can I buy NCIOpen2_004022?
You can request a quote for NCIOpen2_004022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_004022?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_004022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.