Cyclooct-4-en-1-yl butanoate
TL;DR: Cyclooct-4-en-1-yl butanoate (CAS 94139-01-2) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclooct-4-en-1-yl butanoate
Also Known As: 4-Cycloocten-1-yl butyrate, cyclooct-4-en-1-yl butanoate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.2186 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 196.49841 |
Chemical Identifiers
| CAS Number | 94139-01-2 |
|---|---|
| SMILES | CCCC(=O)OC1CCCC=CCC1 |
Product Overview
Cyclooct-4-en-1-yl butanoate (CAS 94139-01-2), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: cyclooct-4-en-1-yl butanoate.
Chemical Property Profile of Cyclooct-4-en-1-yl butanoate
Property Insights of Cyclooct-4-en-1-yl butanoate
The XLogP value of 3.2186 indicates that Cyclooct-4-en-1-yl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclooct-4-en-1-yl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclooct-4-en-1-yl butanoate 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 Cyclooct-4-en-1-yl butanoate?
The CAS number of Cyclooct-4-en-1-yl butanoate is 94139-01-2.
What is the molecular formula of Cyclooct-4-en-1-yl butanoate?
The molecular formula of Cyclooct-4-en-1-yl butanoate is C12H20O2.
What is the molecular weight of Cyclooct-4-en-1-yl butanoate?
The molecular weight of Cyclooct-4-en-1-yl butanoate is 196.15 g/mol.
Where can I buy Cyclooct-4-en-1-yl butanoate?
You can request a quote for Cyclooct-4-en-1-yl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooct-4-en-1-yl butanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclooct-4-en-1-yl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.