Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate
TL;DR: Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate (CAS 94231-49-9) is a chemical compound with molecular formula C17H28O2 and molecular weight 264.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate
Also Known As: PENTYL (E)-4-(2,2,3-TRIMETHYL-1-CYCLOPENT-3-ENYL)BUT-2-ENOATE
| Molecular Formula | C17H28O2 |
|---|---|
| Molecular Weight | 264.21 g/mol |
| LogP | 4.6585 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.20892 |
| Heavy Atoms | 19 |
| Complexity | 350.27356 |
Chemical Identifiers
| CAS Number | 94231-49-9 |
|---|---|
| SMILES | CCCCCOC(=O)C=CCC1CC=C(C1(C)C)C |
Product Overview
Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate (CAS 94231-49-9), with molecular formula C17H28O2 and molecular weight 264.21 g/mol. IUPAC: pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate.
Chemical Property Profile of Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate
Property Insights of Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate
The XLogP value of 4.6585 indicates that Pentyl 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 26.3 Ų, Pentyl 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, Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate has 0 hydrogen bond donor(s) and 2 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 Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate?
The CAS number of Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate is 94231-49-9.
What is the molecular formula of Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate?
The molecular formula of Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate is C17H28O2.
What is the molecular weight of Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate?
The molecular weight of Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate is 264.21 g/mol.
Where can I buy Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate?
You can request a quote for Pentyl 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 Pentyl 4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 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.