Octan-3-yl 2-methylbut-2-enoate
TL;DR: Octan-3-yl 2-methylbut-2-enoate (CAS 94133-92-3) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-3-yl 2-methylbut-2-enoate
Also Known As: 3-Octyl tiglate, Octan-3-yl 2-methylbut-2-enoate, octan-3-yl (E)-2-methylbut-2-enoate
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.8547 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 206.5815 |
Chemical Identifiers
| CAS Number | 94133-92-3 |
|---|---|
| SMILES | CCCCCC(CC)OC(=O)C(=CC)C |
Product Overview
Octan-3-yl 2-methylbut-2-enoate (CAS 94133-92-3), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: octan-3-yl 2-methylbut-2-enoate.
Chemical Property Profile of Octan-3-yl 2-methylbut-2-enoate
Property Insights of Octan-3-yl 2-methylbut-2-enoate
The XLogP value of 3.8547 indicates that Octan-3-yl 2-methylbut-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, Octan-3-yl 2-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octan-3-yl 2-methylbut-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 Octan-3-yl 2-methylbut-2-enoate?
The CAS number of Octan-3-yl 2-methylbut-2-enoate is 94133-92-3.
What is the molecular formula of Octan-3-yl 2-methylbut-2-enoate?
The molecular formula of Octan-3-yl 2-methylbut-2-enoate is C13H24O2.
What is the molecular weight of Octan-3-yl 2-methylbut-2-enoate?
The molecular weight of Octan-3-yl 2-methylbut-2-enoate is 212.18 g/mol.
Where can I buy Octan-3-yl 2-methylbut-2-enoate?
You can request a quote for Octan-3-yl 2-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octan-3-yl 2-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Octan-3-yl 2-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.