![methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate structure](/static/products/6643/664357-86-2.webp)
methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate
TL;DR: methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate (CAS 664357-86-2) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoate
Also Known As: BAS 05526272, methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate, methyl 2-(5-{2-nitrovinyl}-2-furyl)benzoate, methyl 2-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoate, AH-487/41657821
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.9806 |
| Topological Polar Surface Area | 82.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 671.70874 |
Chemical Identifiers
| CAS Number | 664357-86-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C/[N+](=O)[O-] |
Product Overview
methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate (CAS 664357-86-2), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: methyl 2-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoate.
Chemical Property Profile of methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate
Property Insights of methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate
The XLogP value of 2.9806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate. The TPSA of 82.58 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate. Following Lipinski's Rule of Five, methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate 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 methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate?
The CAS number of methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate is 664357-86-2.
What is the molecular formula of methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate?
The molecular formula of methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate is C14H11NO5.
What is the molecular weight of methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate?
The molecular weight of methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate is 273.06 g/mol.
Where can I buy methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate?
You can request a quote for methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{5-[(E)-2-nitroethenyl]furan-2-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.