![ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate structure](/static/products/116/1164520-35-7.png)
ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate
TL;DR: ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate (CAS 1164520-35-7) is a chemical compound with molecular formula C18H17BrN2O2 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoate
Also Known As: ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate, (E)-3-[1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-acrylic acid ethyl ester, (E)-ethyl 3-(1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyanoacrylate, ethyl (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoate
| Molecular Formula | C18H17BrN2O2 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 4.32672 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.04733 |
| Heavy Atoms | 23 |
| Complexity | 795.6644 |
Chemical Identifiers
| CAS Number | 1164520-35-7 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC=C(C=C2)Br)C)/C#N |
Product Overview
ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate (CAS 1164520-35-7), with molecular formula C18H17BrN2O2 and molecular weight 372.05 g/mol. IUPAC: ethyl (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoate.
Chemical Property Profile of ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate
Property Insights of ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate
The XLogP value of 4.32672 indicates that ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.02 Ų, ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-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 ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate?
The CAS number of ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate is 1164520-35-7.
What is the molecular formula of ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate?
The molecular formula of ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate is C18H17BrN2O2.
What is the molecular weight of ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate?
The molecular weight of ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate is 372.05 g/mol.
Where can I buy ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate?
You can request a quote for ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-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 (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.