![Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate structure](/static/products/722/722484-06-2.png)
Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate
TL;DR: Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate (CAS 722484-06-2) is a chemical compound with molecular formula C27H35N3O3 and molecular weight 449.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxylate
Also Known As: Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate, ethyl 4-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxylate, ethyl 4-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]-2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C27H35N3O3 |
|---|---|
| Molecular Weight | 449.27 g/mol |
| LogP | 5.65452 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 449.26785 |
| Heavy Atoms | 33 |
| Complexity | 1013.46796 |
Chemical Identifiers
| CAS Number | 722484-06-2 |
|---|---|
| SMILES | CCCCCCCCNC(=O)/C(=C/C1=C(N(C(=C1C(=O)OCC)C)C2=CC=CC=C2)C)/C#N |
Product Overview
Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate (CAS 722484-06-2), with molecular formula C27H35N3O3 and molecular weight 449.27 g/mol. IUPAC: ethyl 4-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate
Property Insights of Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate
The XLogP value of 5.65452 indicates that Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate?
The CAS number of Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate is 722484-06-2.
What is the molecular formula of Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate?
The molecular formula of Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate is C27H35N3O3.
What is the molecular weight of Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate?
The molecular weight of Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate is 449.27 g/mol.
Where can I buy Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate?
You can request a quote for Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.