4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester
TL;DR: 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester (CAS 22996-98-1) is a chemical compound with molecular formula C10H8N2O6 and molecular weight 252.03824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-methyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Also Known As: 4-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-5-(5-NITRO-2-FURYL)-, METHYL ESTER, methyl 3-methyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate, 3-Methyl-5-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid methyl ester, BRN 1013703
Technical Specifications
| Molecular Formula | C10H8N2O6 |
| Molecular Weight | 252.03824 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.03824 Da |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
| SMILES | CC1=NOC(=C1C(=O)OC)C2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | SLMJEKPPUWWHLS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester
Property Insights of 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester has 0 hydrogen bond donor(s) and 7 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-methyl-5-(5-nitro-2-furyl)-, methyl ester?
The CAS number of 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester is 22996-98-1.
What is the molecular formula of 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester?
The molecular formula of 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester is C10H8N2O6.
What is the molecular weight of 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester?
The molecular weight of 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester is 252.03824 g/mol.
Where can I buy 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester?
You can request a quote for 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 4-Isoxazolecarboxylic acid, 3-methyl-5-(5-nitro-2-furyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.