3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate
TL;DR: 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate (CAS 78-37-5) is a chemical compound with molecular formula C19H24O2 and molecular weight 284.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate
Also Known As: Linalyl cinnamate, 3,7-Dimethylocta-1,6-dien-3-yl cinnamate, 3,7-Dimethylocta-1,6-dien-3-ylcinnamate, 3,7-dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate, Cinnamic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
| Molecular Formula | C19H24O2 |
|---|---|
| Molecular Weight | 284.18 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 284.17764 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 78-37-5 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)OC(=O)C=CC1=CC=CC=C1)C |
| InChIKey | DPFUEXLIKDHJNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate (CAS 78-37-5), with molecular formula C19H24O2 and molecular weight 284.18 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate.
Chemical Property Profile of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate
Property Insights of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate
The XLogP value of 5.4 indicates that 3,7-Dimethylocta-1,6-dien-3-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, 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-1,6-dien-3-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 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
The CAS number of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate is 78-37-5.
What is the molecular formula of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
The molecular formula of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate is C19H24O2.
What is the molecular weight of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
The molecular weight of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate is 284.18 g/mol.
Where can I buy 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
You can request a quote for 3,7-Dimethylocta-1,6-dien-3-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 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.