5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester
TL;DR: 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester (CAS 97461-39-7) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(5-nitrofuran-2-yl)prop-2-enoate
Also Known As: 5-Nitro-2-furylacrylic acid, t-butyl ester, 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester, tert-butyl 3-(5-nitrofuran-2-yl)prop-2-enoate, 3-(5-Nitro-2-furanyl)-2-propenoic acid 1,1-dimethylethyl ester, 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, 1,1-dimethylethyl ester
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 97461-39-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C=CC1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | MBWSTIVJDFXNEZ-UHFFFAOYSA-N |
Product Overview
5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester (CAS 97461-39-7), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: tert-butyl 3-(5-nitrofuran-2-yl)prop-2-enoate.
Chemical Property Profile of 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester
Property Insights of 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester
The XLogP value of 3.1 indicates that 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester has 0 hydrogen bond donor(s) and 5 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-furanacrylic acid, 1,1-dimethylethyl ester?
The CAS number of 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester is 97461-39-7.
What is the molecular formula of 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester?
The molecular formula of 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester is C11H13NO5.
What is the molecular weight of 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester?
The molecular weight of 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester is 239.08 g/mol.
Where can I buy 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester?
You can request a quote for 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl 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-furanacrylic acid, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-furanacrylic acid, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.