ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate
TL;DR: ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate (CAS 314282-18-3) is a chemical compound with molecular formula C10H8BrNO2S and molecular weight 284.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate
Also Known As: Hit2Lead 5194466, BAS 00781935, ethyl 3-(5-bromothiophen-2-yl)-2-cyanoacrylate, ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate, 3-(5-Bromo-thiophen-2-yl)-2-cyano-acrylic acid ethyl ester
| Molecular Formula | C10H8BrNO2S |
|---|---|
| Molecular Weight | 284.95 g/mol |
| LogP | 2.98068 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.94592 |
| Heavy Atoms | 15 |
| Complexity | 430.87595 |
Chemical Identifiers
| CAS Number | 314282-18-3 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC=C(S1)Br)/C#N |
Product Overview
ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate (CAS 314282-18-3), with molecular formula C10H8BrNO2S and molecular weight 284.95 g/mol. IUPAC: ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate.
Chemical Property Profile of ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate
Property Insights of ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate
The XLogP value of 2.98068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate. With a topological polar surface area (TPSA) of 50.09 Ų, ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate 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 (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate?
The CAS number of ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate is 314282-18-3.
What is the molecular formula of ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate?
The molecular formula of ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate is C10H8BrNO2S.
What is the molecular weight of ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate?
The molecular weight of ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate is 284.95 g/mol.
Where can I buy ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate?
You can request a quote for ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (Z)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.