4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester
TL;DR: 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester (CAS 21709-31-9) is a chemical compound with molecular formula C15H19N3O6 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylamino)-2-methylpropyl] 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-(dimethylamino)-2-methylpropyl ester, 4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(5-NITRO-2-FURYL)-, 2-(DIMETHYLAMINO)-2-M, [2-(dimethylamino)-2-methylpropyl] 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate, 2-(DIMETHYLAMINO)-2-METHYLPROPYL 5-METHYL-3-(5-NITROFURAN-2-YL)-1,2-OXAZOLE-4-CARBOXYLATE
| Molecular Formula | C15H19N3O6 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.12738 |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 21709-31-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)OCC(C)(C)N(C)C |
| InChIKey | IIBPSHUFIVQVMN-UHFFFAOYSA-N |
Product Overview
4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester (CAS 21709-31-9), with molecular formula C15H19N3O6 and molecular weight 337.13 g/mol. IUPAC: [2-(dimethylamino)-2-methylpropyl] 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-(dimethylamino)-2-methylpropyl ester
Property Insights of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl 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-(dimethylamino)-2-methylpropyl ester. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl 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-(dimethylamino)-2-methylpropyl ester?
The CAS number of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester is 21709-31-9.
What is the molecular formula of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester?
The molecular formula of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester is C15H19N3O6.
What is the molecular weight of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester?
The molecular weight of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester is 337.13 g/mol.
Where can I buy 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester?
You can request a quote for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl 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-(dimethylamino)-2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2-(dimethylamino)-2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.