6-Nitroveratraldoxime
TL;DR: 6-Nitroveratraldoxime (CAS 29577-51-3) is a chemical compound with molecular formula C9H10N2O5 and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4,5-dimethoxy-2-nitrophenyl)methylidene]hydroxylamine
Also Known As: 6-Nitroveratraldoxime, 4,5-Dimethoxy-2-nitrobenzaldehyde oxime, N-[(4,5-dimethoxy-2-nitrophenyl)methylidene]hydroxylamine, (NE)-N-[(4,5-dimethoxy-2-nitrophenyl)methylidene]hydroxylamine
| Molecular Formula | C9H10N2O5 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.05898 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 29577-51-3 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=NO)[N+](=O)[O-])OC |
| InChIKey | CRQFTYUZLLSSDF-UHFFFAOYSA-N |
Product Overview
6-Nitroveratraldoxime (CAS 29577-51-3), with molecular formula C9H10N2O5 and molecular weight 226.06 g/mol. IUPAC: N-[(4,5-dimethoxy-2-nitrophenyl)methylidene]hydroxylamine.
Chemical Property Profile of 6-Nitroveratraldoxime
Property Insights of 6-Nitroveratraldoxime
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitroveratraldoxime. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitroveratraldoxime. Following Lipinski's Rule of Five, 6-Nitroveratraldoxime has 1 hydrogen bond donor(s) and 6 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 6-Nitroveratraldoxime?
The CAS number of 6-Nitroveratraldoxime is 29577-51-3.
What is the molecular formula of 6-Nitroveratraldoxime?
The molecular formula of 6-Nitroveratraldoxime is C9H10N2O5.
What is the molecular weight of 6-Nitroveratraldoxime?
The molecular weight of 6-Nitroveratraldoxime is 226.06 g/mol.
Where can I buy 6-Nitroveratraldoxime?
You can request a quote for 6-Nitroveratraldoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitroveratraldoxime?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitroveratraldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.