2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester
TL;DR: 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester (CAS 68162-37-8) is a chemical compound with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-nitro-3-(5-nitrofuran-2-yl)prop-2-enoate
Also Known As: 2-nitro-3-2-propenoicacidmethylester, 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester, alpha,5-Dinitro-2-furanacrylic acid, methyl ester, 3-(5-Nitro-2-furyl)-2-nitropropenoic acid, methyl ester, 2-Nitro-3-(5-nitro-2-furanyl)-2-propenoic acid methyl ester
| Molecular Formula | C8H6N2O7 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.0175 |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 68162-37-8 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=C(O1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GCDFCMLXPJAPDK-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester (CAS 68162-37-8), with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol. IUPAC: methyl 2-nitro-3-(5-nitrofuran-2-yl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester
Property Insights of 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, 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 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester?
The CAS number of 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester is 68162-37-8.
What is the molecular formula of 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester?
The molecular formula of 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester is C8H6N2O7.
What is the molecular weight of 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester?
The molecular weight of 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester is 242.02 g/mol.
Where can I buy 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester?
You can request a quote for 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.