Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate
TL;DR: Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate (CAS 887575-95-3) is a chemical compound with molecular formula C8H7NO4S and molecular weight 213.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-nitroethenyl)thiophene-3-carboxylate
Also Known As: methyl 5-{2-nitrovinyl}-3-thiophenecarboxylate, Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate, methyl 5-(2-nitroethenyl)thiophene-3-carboxylate
| Molecular Formula | C8H7NO4S |
|---|---|
| Molecular Weight | 213.01 g/mol |
| LogP | 1.7821 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.00958 |
| Heavy Atoms | 14 |
| Complexity | 382.44794 |
Chemical Identifiers
| CAS Number | 887575-95-3 |
|---|---|
| SMILES | COC(=O)C1=CSC(=C1)C=C[N+](=O)[O-] |
Product Overview
Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate (CAS 887575-95-3), with molecular formula C8H7NO4S and molecular weight 213.01 g/mol. IUPAC: methyl 5-(2-nitroethenyl)thiophene-3-carboxylate.
Chemical Property Profile of Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate
Property Insights of Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate
The XLogP value of 1.7821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate 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 5-(2-nitroethenyl)-3-thiophenecarboxylate?
The CAS number of Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate is 887575-95-3.
What is the molecular formula of Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate?
The molecular formula of Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate is C8H7NO4S.
What is the molecular weight of Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate?
The molecular weight of Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate is 213.01 g/mol.
Where can I buy Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate?
You can request a quote for Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(2-nitroethenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.