3,7-Dimethylocta-2,6-dienyl but-2-enoate
TL;DR: 3,7-Dimethylocta-2,6-dienyl but-2-enoate (CAS 56172-46-4) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienyl but-2-enoate
Also Known As: Geranyl crotonate, Crotonic acid, geraniol ester, 3,7-dimethylocta-2,6-dienyl but-2-enoate, 5-Hydroxybenzofuran-2-carbonsaeure, (,Z)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 56172-46-4 |
|---|---|
| SMILES | CC=CC(=O)OCC=C(C)CCC=C(C)C |
| InChIKey | MQTAGIYIVBMTBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylocta-2,6-dienyl but-2-enoate (CAS 56172-46-4), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl but-2-enoate.
Chemical Property Profile of 3,7-Dimethylocta-2,6-dienyl but-2-enoate
Property Insights of 3,7-Dimethylocta-2,6-dienyl but-2-enoate
The XLogP value of 4.3 indicates that 3,7-Dimethylocta-2,6-dienyl 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, 3,7-Dimethylocta-2,6-dienyl but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-2,6-dienyl 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 3,7-Dimethylocta-2,6-dienyl but-2-enoate?
The CAS number of 3,7-Dimethylocta-2,6-dienyl but-2-enoate is 56172-46-4.
What is the molecular formula of 3,7-Dimethylocta-2,6-dienyl but-2-enoate?
The molecular formula of 3,7-Dimethylocta-2,6-dienyl but-2-enoate is C14H22O2.
What is the molecular weight of 3,7-Dimethylocta-2,6-dienyl but-2-enoate?
The molecular weight of 3,7-Dimethylocta-2,6-dienyl but-2-enoate is 222.16 g/mol.
Where can I buy 3,7-Dimethylocta-2,6-dienyl but-2-enoate?
You can request a quote for 3,7-Dimethylocta-2,6-dienyl 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 3,7-Dimethylocta-2,6-dienyl but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-2,6-dienyl but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.