Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate
TL;DR: Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate (CAS 853347-59-8) is a chemical compound with molecular formula C16H12BrNO3 and molecular weight 345.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate
Also Known As: ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate, Ethyl 3-(5-(2-bromophenyl)furan-2-yl)-2-cyanoacrylate, ethyl (2E)-3-[5-(2-bromophenyl)-2-furyl]-2-cyano-2-propenoate, ethyl (E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate, ETHYL (2E)-3-[5-(2-BROMOPHENYL)FURAN-2-YL]-2-CYANOPROP-2-ENOATE
| Molecular Formula | C16H12BrNO3 |
|---|---|
| Molecular Weight | 345.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.00006 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 853347-59-8 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC=CC=C2Br)/C#N |
| InChIKey | AGCKFWVOABAYBZ-PKNBQFBNSA-N |
Product Overview
Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate (CAS 853347-59-8), with molecular formula C16H12BrNO3 and molecular weight 345.00 g/mol. IUPAC: ethyl (E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate
Property Insights of Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate
The XLogP value of 3.9 indicates that Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate. Following Lipinski's Rule of Five, Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate has 0 hydrogen bond donor(s) and 4 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-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate?
The CAS number of Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate is 853347-59-8.
What is the molecular formula of Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate?
The molecular formula of Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate is C16H12BrNO3.
What is the molecular weight of Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate?
The molecular weight of Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate is 345.00 g/mol.
Where can I buy Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate?
You can request a quote for Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate 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-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(5-(2-bromophenyl)-2-furyl)-2-cyano-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.