Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate
TL;DR: Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate (CAS 836-37-3) is a chemical compound with molecular formula C9H6N2O5 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate
Also Known As: 9-Phenanthrenecarboxylic acid, methyl 2-cyano-3-(5-nitro-2-furyl)acrylate, methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate, methyl(2e)-2-cyano-3-(5-nitro-2-furyl)acrylate, 2-Methoxycarbonyl-3-(5-nitro-2-furyl)acrylonitrile
| Molecular Formula | C9H6N2O5 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.02766 |
| Heavy Atoms | 16 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 836-37-3 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=C(O1)[N+](=O)[O-])C#N |
| InChIKey | VTPSQKRYJMAJDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate (CAS 836-37-3), with molecular formula C9H6N2O5 and molecular weight 222.03 g/mol. IUPAC: methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate
Property Insights of Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate has 0 hydrogen bond donor(s) and 6 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 Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate?
The CAS number of Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate is 836-37-3.
What is the molecular formula of Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate?
The molecular formula of Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate is C9H6N2O5.
What is the molecular weight of Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate?
The molecular weight of Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate is 222.03 g/mol.
Where can I buy Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate?
You can request a quote for Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.