Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate
TL;DR: Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate (CAS 79569-97-4) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate
Also Known As: ethyl2-cyano-4-2-butenoate, Ethyl 2-cyano-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenoate, Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate, 2-Butenoic acid,2-cyano-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, ethyl ester
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 3.38198 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 424.26477 |
Chemical Identifiers
| CAS Number | 79569-97-4 |
|---|---|
| SMILES | CCOC(=O)C(=CCC1CC=C(C1(C)C)C)C#N |
Product Overview
Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate (CAS 79569-97-4), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate
Property Insights of Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate
The XLogP value of 3.38198 indicates that Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-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 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate?
The CAS number of Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate is 79569-97-4.
What is the molecular formula of Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate?
The molecular formula of Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate is C15H21NO2.
What is the molecular weight of Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate?
The molecular weight of Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate is 247.16 g/mol.
Where can I buy Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate?
You can request a quote for Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-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 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.