5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester
TL;DR: 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester (CAS 22401-53-2) is a chemical compound with molecular formula C8H9NO7 and molecular weight 231.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetyloxy-2-nitro-2H-furan-5-carboxylate
Also Known As: 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester, methyl 5-acetyloxy-2-nitro-2H-furan-5-carboxylate, methyl 5-nitro-2-acetoxy-2,5-dihydrofuran-2-carboxylate, Methyl 2-(acetyloxy)-5-nitro-2,5-dihydrofuran-2-carboxylate, 2-Furancarboxylic acid,2-(acetyloxy)-2,5-dihydro-5-nitro-, methyl ester
| Molecular Formula | C8H9NO7 |
|---|---|
| Molecular Weight | 231.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.0379 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 22401-53-2 |
|---|---|
| SMILES | CC(=O)OC1(C=CC(O1)[N+](=O)[O-])C(=O)OC |
| InChIKey | FEFIJHVDPKGDHY-UHFFFAOYSA-N |
Product Overview
5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester (CAS 22401-53-2), with molecular formula C8H9NO7 and molecular weight 231.04 g/mol. IUPAC: methyl 5-acetyloxy-2-nitro-2H-furan-5-carboxylate.
Chemical Property Profile of 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester
Property Insights of 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester. Following Lipinski's Rule of Five, 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid 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
Frequently Asked Questions
What is the CAS number of 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester?
The CAS number of 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester is 22401-53-2.
What is the molecular formula of 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester?
The molecular formula of 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester is C8H9NO7.
What is the molecular weight of 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester?
The molecular weight of 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester is 231.04 g/mol.
Where can I buy 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester?
You can request a quote for 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-acetoxy-2,5-dihydro-2-furancarboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.