alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester
TL;DR: alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester (CAS 68162-38-9) is a chemical compound with molecular formula C8H6BrNO5 and molecular weight 274.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(5-bromofuran-2-yl)-2-nitroprop-2-enoate
Also Known As: 2-Hydroxyethyl gallate, alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester, 3-(5-Bromo-2-furyl)-2-nitropropenoic acid, methyl ester, methyl 3-(5-bromo-2-furyl)-2-nitroacrylate, 1-(5-Br-2-furyl)-2-NO2-2-COOMe ethylene
| Molecular Formula | C8H6BrNO5 |
|---|---|
| Molecular Weight | 274.94 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.94293 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 68162-38-9 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=C(O1)Br)[N+](=O)[O-] |
| InChIKey | XBKOCRRKOPWCAY-UHFFFAOYSA-N |
Product Overview
alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester (CAS 68162-38-9), with molecular formula C8H6BrNO5 and molecular weight 274.94 g/mol. IUPAC: methyl 3-(5-bromofuran-2-yl)-2-nitroprop-2-enoate.
Chemical Property Profile of alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester
Property Insights of alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester. Following Lipinski's Rule of Five, alpha-Nitro-5-bromo-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-Nitro-5-bromo-2-furanacrylic acid, methyl ester?
The CAS number of alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester is 68162-38-9.
What is the molecular formula of alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester?
The molecular formula of alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester is C8H6BrNO5.
What is the molecular weight of alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester?
The molecular weight of alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester is 274.94 g/mol.
Where can I buy alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester?
You can request a quote for alpha-Nitro-5-bromo-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-Nitro-5-bromo-2-furanacrylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.