4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester
TL;DR: 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester (CAS 21709-30-8) is a chemical compound with molecular formula C16H21N3O6 and molecular weight 351.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethylamino)propan-2-yl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Also Known As: 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester, 1-(diethylamino)propan-2-yl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate, 1-(Diethylamino)propan-2-yl5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate, 5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid 2-(diethylamino)-1-methylethyl ester
| Molecular Formula | C16H21N3O6 |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 351.14304 |
| Heavy Atoms | 25 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 21709-30-8 |
|---|---|
| SMILES | CCN(CC)CC(C)OC(=O)C1=C(ON=C1C2=CC=C(O2)[N+](=O)[O-])C |
| InChIKey | LBMNYUVGHGDNMF-UHFFFAOYSA-N |
Product Overview
4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester (CAS 21709-30-8), with molecular formula C16H21N3O6 and molecular weight 351.14 g/mol. IUPAC: 1-(diethylamino)propan-2-yl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester
Property Insights of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester has 0 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 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester?
The CAS number of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester is 21709-30-8.
What is the molecular formula of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester?
The molecular formula of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester is C16H21N3O6.
What is the molecular weight of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester?
The molecular weight of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester is 351.14 g/mol.
Where can I buy 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester?
You can request a quote for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(diethylamino)-1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.