Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate
TL;DR: Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate (CAS 885117-67-9) is a chemical compound with molecular formula C9H8BrNO4S and molecular weight 304.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(5-bromo-2-nitrothiophen-3-yl)prop-2-enoate
Also Known As: ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate, Ethyl 3-{5-bromo-2-nitro-3-thienyl}, AI-942/25034653, ethyl (E)-3-(5-bromo-2-nitrothiophen-3-yl)prop-2-enoate
| Molecular Formula | C9H8BrNO4S |
|---|---|
| Molecular Weight | 304.94 g/mol |
| LogP | 2.9951 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.93573 |
| Heavy Atoms | 16 |
| Complexity | 440.71744 |
Chemical Identifiers
| CAS Number | 885117-67-9 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=C(SC(=C1)Br)[N+](=O)[O-] |
Product Overview
Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate (CAS 885117-67-9), with molecular formula C9H8BrNO4S and molecular weight 304.94 g/mol. IUPAC: ethyl (E)-3-(5-bromo-2-nitrothiophen-3-yl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate
Property Insights of Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate
The XLogP value of 2.9951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate. Following Lipinski's Rule of Five, Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate 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 Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate?
The CAS number of Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate is 885117-67-9.
What is the molecular formula of Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate?
The molecular formula of Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate is C9H8BrNO4S.
What is the molecular weight of Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate?
The molecular weight of Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate is 304.94 g/mol.
Where can I buy Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate?
You can request a quote for Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-{5-bromo-2-nitro-3-thienyl}acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.