(E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate
TL;DR: (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate (CAS 6640-82-0) is a chemical compound with molecular formula C12H19ClO2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-chloroacetate
Also Known As: geranyl chloroacetate, 3,7-dimethylocta-2,6-dien-1-yl chloroacetate, (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate, 3,7-dimethylocta-2,6-dienyl 2-chloroacetate, J1.484.147D
| Molecular Formula | C12H19ClO2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 3.4611 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.10736 |
| Heavy Atoms | 15 |
| Complexity | 250.34773 |
Chemical Identifiers
| CAS Number | 6640-82-0 |
|---|---|
| SMILES | CC(=CCC/C(=C/COC(=O)CCl)/C)C |
Product Overview
(E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate (CAS 6640-82-0), with molecular formula C12H19ClO2 and molecular weight 230.11 g/mol. IUPAC: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-chloroacetate.
Chemical Property Profile of (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate
Property Insights of (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate
The XLogP value of 3.4611 indicates that (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate 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 (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate?
The CAS number of (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate is 6640-82-0.
What is the molecular formula of (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate?
The molecular formula of (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate is C12H19ClO2.
What is the molecular weight of (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate?
The molecular weight of (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate is 230.11 g/mol.
Where can I buy (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate?
You can request a quote for (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-3,7-dimethylocta-2,6-dienyl 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.