Ethyl 3-(4,5-dibromo-3-thienyl)acrylate
TL;DR: Ethyl 3-(4,5-dibromo-3-thienyl)acrylate (CAS 75754-92-6) is a chemical compound with molecular formula C9H8Br2O2S and molecular weight 337.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(4,5-dibromothiophen-3-yl)prop-2-enoate
Also Known As: ethyl 3-(4,5-dibromo-3-thienyl)acrylate, AI-942/25034654, ethyl (E)-3-(4,5-dibromothiophen-3-yl)prop-2-enoate
| Molecular Formula | C9H8Br2O2S |
|---|---|
| Molecular Weight | 337.86 g/mol |
| LogP | 3.8494 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.86118 |
| Heavy Atoms | 14 |
| Complexity | 357.69397 |
Chemical Identifiers
| CAS Number | 75754-92-6 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CSC(=C1Br)Br |
Product Overview
Ethyl 3-(4,5-dibromo-3-thienyl)acrylate (CAS 75754-92-6), with molecular formula C9H8Br2O2S and molecular weight 337.86 g/mol. IUPAC: ethyl (E)-3-(4,5-dibromothiophen-3-yl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-(4,5-dibromo-3-thienyl)acrylate
Property Insights of Ethyl 3-(4,5-dibromo-3-thienyl)acrylate
The XLogP value of 3.8494 indicates that Ethyl 3-(4,5-dibromo-3-thienyl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-(4,5-dibromo-3-thienyl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4,5-dibromo-3-thienyl)acrylate has 0 hydrogen bond donor(s) and 3 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-(4,5-dibromo-3-thienyl)acrylate?
The CAS number of Ethyl 3-(4,5-dibromo-3-thienyl)acrylate is 75754-92-6.
What is the molecular formula of Ethyl 3-(4,5-dibromo-3-thienyl)acrylate?
The molecular formula of Ethyl 3-(4,5-dibromo-3-thienyl)acrylate is C9H8Br2O2S.
What is the molecular weight of Ethyl 3-(4,5-dibromo-3-thienyl)acrylate?
The molecular weight of Ethyl 3-(4,5-dibromo-3-thienyl)acrylate is 337.86 g/mol.
Where can I buy Ethyl 3-(4,5-dibromo-3-thienyl)acrylate?
You can request a quote for Ethyl 3-(4,5-dibromo-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-(4,5-dibromo-3-thienyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4,5-dibromo-3-thienyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.