![ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate structure](/static/products/100/1007186-09-5.png)
ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate
TL;DR: ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate (CAS 1007186-09-5) is a chemical compound with molecular formula C18H15BrN4O2 and molecular weight 398.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyanoprop-2-enoate
Also Known As: ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate, ethyl (E)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyanoprop-2-enoate
| Molecular Formula | C18H15BrN4O2 |
|---|---|
| Molecular Weight | 398.04 g/mol |
| LogP | 3.69636 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.03784 |
| Heavy Atoms | 25 |
| Complexity | 869.96155 |
Chemical Identifiers
| CAS Number | 1007186-09-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)Br)CCC#N)/C#N |
Product Overview
ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate (CAS 1007186-09-5), with molecular formula C18H15BrN4O2 and molecular weight 398.04 g/mol. IUPAC: ethyl (E)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyanoprop-2-enoate.
Chemical Property Profile of ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate
Property Insights of ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate
The XLogP value of 3.69636 indicates that ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate has 0 hydrogen bond donor(s) and 5 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 (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate?
The CAS number of ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate is 1007186-09-5.
What is the molecular formula of ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate?
The molecular formula of ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate is C18H15BrN4O2.
What is the molecular weight of ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate?
The molecular weight of ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate is 398.04 g/mol.
Where can I buy ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate?
You can request a quote for ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-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 (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.