alpha-Methyl-5-nitro-2-furanacrylic acid
TL;DR: alpha-Methyl-5-nitro-2-furanacrylic acid (CAS 7279-49-4) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoic acid
Also Known As: Hg^JAHABNxeNR[e]f[fijZYA@h, alpha-Methyl-5-nitro-2-furanacrylic acid, 2-Furanacrylic acid, alpha-methyl-5-nitro-, (E)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoic acid
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.6757 |
| Topological Polar Surface Area | 93.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 403.61908 |
Chemical Identifiers
| CAS Number | 7279-49-4 |
|---|---|
| SMILES | C/C(=C\C1=CC=C(O1)[N+](=O)[O-])/C(=O)O |
Product Overview
alpha-Methyl-5-nitro-2-furanacrylic acid (CAS 7279-49-4), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: (E)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoic acid.
Chemical Property Profile of alpha-Methyl-5-nitro-2-furanacrylic acid
Property Insights of alpha-Methyl-5-nitro-2-furanacrylic acid
The XLogP value of 1.6757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Methyl-5-nitro-2-furanacrylic acid. The TPSA of 93.58 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Methyl-5-nitro-2-furanacrylic acid. Following Lipinski's Rule of Five, alpha-Methyl-5-nitro-2-furanacrylic acid has 1 hydrogen bond donor(s) and 4 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?
The CAS number of alpha-Methyl-5-nitro-2-furanacrylic acid is 7279-49-4.
What is the molecular formula of alpha-Methyl-5-nitro-2-furanacrylic acid?
The molecular formula of alpha-Methyl-5-nitro-2-furanacrylic acid is C8H7NO5.
What is the molecular weight of alpha-Methyl-5-nitro-2-furanacrylic acid?
The molecular weight of alpha-Methyl-5-nitro-2-furanacrylic acid is 197.03 g/mol.
Where can I buy alpha-Methyl-5-nitro-2-furanacrylic acid?
You can request a quote for alpha-Methyl-5-nitro-2-furanacrylic acid 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?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methyl-5-nitro-2-furanacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.