alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester
TL;DR: alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester (CAS 97461-43-3) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
Also Known As: alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester, methyl 2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate, 4-18-00-04173 (Beilstein Handbook Reference), 2-Methyl-3-(5-nitro-2-furanyl)-2-propenoic acid methyl ester, 2-Propenoic acid, 2-methyl-3-(5-nitro-2-furanyl)-, methyl ester
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 97461-43-3 |
|---|---|
| SMILES | CC(=CC1=CC=C(O1)[N+](=O)[O-])C(=O)OC |
| InChIKey | JYNVRRQCZATZKK-UHFFFAOYSA-N |
Product Overview
alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester (CAS 97461-43-3), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: methyl 2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate.
Chemical Property Profile of alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester
Property Insights of alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester. Following Lipinski's Rule of Five, alpha-Methyl-5-nitro-2-furanacrylic acid, methyl 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 alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester?
The CAS number of alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester is 97461-43-3.
What is the molecular formula of alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester?
The molecular formula of alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester is C9H9NO5.
What is the molecular weight of alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester?
The molecular weight of alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester is 211.05 g/mol.
Where can I buy alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester?
You can request a quote for alpha-Methyl-5-nitro-2-furanacrylic 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 alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.