Octan-2-yl 3-phenylprop-2-enoate
TL;DR: Octan-2-yl 3-phenylprop-2-enoate (CAS 622-01-5) is a chemical compound with molecular formula C17H24O2 and molecular weight 260.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-2-yl 3-phenylprop-2-enoate
Also Known As: octan-2-yl 3-phenylprop-2-enoate, 2-Propenoic acid,3-phenyl-,1-methylheptyl ester, 2-Propenoic acid,3-phenyl-, 1-methylheptyl ester, 2-Propenoic acid, 3-phenyl-, 1-methylheptyl ester
| Molecular Formula | C17H24O2 |
|---|---|
| Molecular Weight | 260.18 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 260.17764 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 622-01-5 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)C=CC1=CC=CC=C1 |
| InChIKey | BAFXDTKXIVTRPP-UHFFFAOYSA-N |
Product Overview
Octan-2-yl 3-phenylprop-2-enoate (CAS 622-01-5), with molecular formula C17H24O2 and molecular weight 260.18 g/mol. IUPAC: octan-2-yl 3-phenylprop-2-enoate.
Chemical Property Profile of Octan-2-yl 3-phenylprop-2-enoate
Property Insights of Octan-2-yl 3-phenylprop-2-enoate
The XLogP value of 5.5 indicates that Octan-2-yl 3-phenylprop-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-2-yl 3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octan-2-yl 3-phenylprop-2-enoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octan-2-yl 3-phenylprop-2-enoate?
The CAS number of Octan-2-yl 3-phenylprop-2-enoate is 622-01-5.
What is the molecular formula of Octan-2-yl 3-phenylprop-2-enoate?
The molecular formula of Octan-2-yl 3-phenylprop-2-enoate is C17H24O2.
What is the molecular weight of Octan-2-yl 3-phenylprop-2-enoate?
The molecular weight of Octan-2-yl 3-phenylprop-2-enoate is 260.18 g/mol.
Where can I buy Octan-2-yl 3-phenylprop-2-enoate?
You can request a quote for Octan-2-yl 3-phenylprop-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-2-yl 3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Octan-2-yl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.