5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile
TL;DR: 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile (CAS 959330-69-9) is a chemical compound with molecular formula C11H10N4O5 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(ethoxymethylamino)-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carbonitrile
Also Known As: 3-(5-Nitro-2-furyl)isoxazoline deriv, 4-Isoxazolecarbonitrile,5-[ amino]-3- -, 5-(ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile, 4-Isoxazolecarbonitrile, 5-[(ethoxymethyl)amino]-3-(5-nitro-2-furanyl)-, 5-(ethoxymethylamino)-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carbonitrile
| Molecular Formula | C11H10N4O5 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.06512 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 959330-69-9 |
|---|---|
| SMILES | CCOCNC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C#N |
| InChIKey | CCZIARQUZUIIPW-UHFFFAOYSA-N |
Product Overview
5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile (CAS 959330-69-9), with molecular formula C11H10N4O5 and molecular weight 278.07 g/mol. IUPAC: 5-(ethoxymethylamino)-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile
Property Insights of 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile has 1 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 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile?
The CAS number of 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile is 959330-69-9.
What is the molecular formula of 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile?
The molecular formula of 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile is C11H10N4O5.
What is the molecular weight of 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile?
The molecular weight of 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile is 278.07 g/mol.
Where can I buy 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile?
You can request a quote for 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Ethoxymethylamino)-3-(5-nitro-2-furyl)isoxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.