3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime
TL;DR: 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime (CAS 303987-37-3) is a chemical compound with molecular formula C12H8N4O5 and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-N-[(3-nitro-2-pyridinyl)oxy]methanimine
Also Known As: 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime, [(3-nitrophenyl)methylidene][(3-nitropyridin-2-yl)oxy]amine, 1-(3-nitrophenyl)-N-(3-nitropyridin-2-yl)oxymethanimine
| Molecular Formula | C12H8N4O5 |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 2.3109 |
| Topological Polar Surface Area | 120.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.04947 |
| Heavy Atoms | 21 |
| Complexity | 716.2989 |
Chemical Identifiers
| CAS Number | 303987-37-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=NOC2=C(C=CC=N2)[N+](=O)[O-] |
Product Overview
3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime (CAS 303987-37-3), with molecular formula C12H8N4O5 and molecular weight 288.05 g/mol. IUPAC: 1-(3-nitrophenyl)-N-[(3-nitro-2-pyridinyl)oxy]methanimine.
Chemical Property Profile of 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime
Property Insights of 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime
The XLogP value of 2.3109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime. The TPSA of 120.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime. Following Lipinski's Rule of Five, 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime has 0 hydrogen bond donor(s) and 7 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 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime?
The CAS number of 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime is 303987-37-3.
What is the molecular formula of 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime?
The molecular formula of 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime is C12H8N4O5.
What is the molecular weight of 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime?
The molecular weight of 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime is 288.05 g/mol.
Where can I buy 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime?
You can request a quote for 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-nitrobenzenecarbaldehyde O-(3-nitro-2-pyridinyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.