3-(5-Nitrofuryl)-propenal oxime
TL;DR: 3-(5-Nitrofuryl)-propenal oxime (CAS 3455-60-5) is a chemical compound with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydroxylamine
Also Known As: Dimethyl-5- izophthalate, 3-(5-nitrofuryl)-propenal oxime, N-[3-(5-nitro-2-furyl)prop-2-enylidene]hydroxylamine, N-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydroxylamine
| Molecular Formula | C7H6N2O4 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 1.661 |
| Topological Polar Surface Area | 88.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.03276 |
| Heavy Atoms | 13 |
| Complexity | 353.12946 |
Chemical Identifiers
| CAS Number | 3455-60-5 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=CC=NO |
Product Overview
3-(5-Nitrofuryl)-propenal oxime (CAS 3455-60-5), with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol. IUPAC: N-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydroxylamine.
Chemical Property Profile of 3-(5-Nitrofuryl)-propenal oxime
Property Insights of 3-(5-Nitrofuryl)-propenal oxime
The XLogP value of 1.661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Nitrofuryl)-propenal oxime. The TPSA of 88.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Nitrofuryl)-propenal oxime. Following Lipinski's Rule of Five, 3-(5-Nitrofuryl)-propenal oxime has 1 hydrogen bond donor(s) and 5 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-(5-Nitrofuryl)-propenal oxime?
The CAS number of 3-(5-Nitrofuryl)-propenal oxime is 3455-60-5.
What is the molecular formula of 3-(5-Nitrofuryl)-propenal oxime?
The molecular formula of 3-(5-Nitrofuryl)-propenal oxime is C7H6N2O4.
What is the molecular weight of 3-(5-Nitrofuryl)-propenal oxime?
The molecular weight of 3-(5-Nitrofuryl)-propenal oxime is 182.03 g/mol.
Where can I buy 3-(5-Nitrofuryl)-propenal oxime?
You can request a quote for 3-(5-Nitrofuryl)-propenal oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Nitrofuryl)-propenal oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Nitrofuryl)-propenal oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.