4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester
TL;DR: 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester (CAS 22996-55-0) is a chemical compound with molecular formula C14H9N3O9 and molecular weight 363.03387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3,5-bis(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Also Known As: ethyl 3,5-bis(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate, 3,5-Bis(5-nitro-2-furyl)-4-isoxazolecarboxylic acid ethyl ester, 4-ISOXAZOLECARBOXYLIC ACID, 3,5-BIS(5-NITRO-2-FURYL)-, ETHYL ESTER
Technical Specifications
| Molecular Formula | C14H9N3O9 |
| Molecular Weight | 363.03387 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.03387 Da |
| Heavy Atoms | 26 |
| Complexity | 563.0 |
| SMILES | CCOC(=O)C1=C(ON=C1C2=CC=C(O2)[N+](=O)[O-])C3=CC=C(O3)[N+](=O)[O-] |
| InChIKey | KEFZGUAPYINZLZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester
Property Insights of 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester. The TPSA of 170.0 Ų indicates high polarity, suggesting 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester?
The CAS number of 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester is 22996-55-0.
What is the molecular formula of 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester?
The molecular formula of 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester is C14H9N3O9.
What is the molecular weight of 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester?
The molecular weight of 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester is 363.03387 g/mol.
Where can I buy 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester?
You can request a quote for 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 4-Isoxazolecarboxylic acid, 3,5-bis(5-nitro-2-furyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.