Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate
TL;DR: Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate (CAS 75754-87-9) is a chemical compound with molecular formula C8H7BrO2S and molecular weight 245.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(5-bromothiophen-3-yl)prop-2-enoate
Also Known As: methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate, methyl (E)-3-(5-bromothiophen-3-yl)prop-2-enoate, 2-Propenoic acid, 3-(5-bromo-3-thienyl)-, methyl ester, (E)-
| Molecular Formula | C8H7BrO2S |
|---|---|
| Molecular Weight | 245.94 g/mol |
| LogP | 2.6968 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.93501 |
| Heavy Atoms | 12 |
| Complexity | 303.76144 |
Chemical Identifiers
| CAS Number | 75754-87-9 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CSC(=C1)Br |
Product Overview
Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate (CAS 75754-87-9), with molecular formula C8H7BrO2S and molecular weight 245.94 g/mol. IUPAC: methyl (E)-3-(5-bromothiophen-3-yl)prop-2-enoate.
Chemical Property Profile of Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate
Property Insights of Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate
The XLogP value of 2.6968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate 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 Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate?
The CAS number of Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate is 75754-87-9.
What is the molecular formula of Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate?
The molecular formula of Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate is C8H7BrO2S.
What is the molecular weight of Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate?
The molecular weight of Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate is 245.94 g/mol.
Where can I buy Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate?
You can request a quote for Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2e)-3-(5-bromothiophen-3-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.