3,7-Dimethylocta-2,6-dienyl 2-chloroacetate
TL;DR: 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate (CAS 340137-10-2) 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.
3,7-dimethylocta-2,6-dienyl 2-chloroacetate
Also Known As: 3,7-dimethylocta-2,6-dienyl 2-chloroacetate, Acetic acid, chloro-, 3,7-dimethyl-2,6-octadienyl ester
| Molecular Formula | C12H19ClO2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.10736 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 340137-10-2 |
|---|---|
| SMILES | CC(=CCCC(=CCOC(=O)CCl)C)C |
| InChIKey | RDCBQKNHTPJDJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylocta-2,6-dienyl 2-chloroacetate (CAS 340137-10-2), with molecular formula C12H19ClO2 and molecular weight 230.11 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl 2-chloroacetate.
Chemical Property Profile of 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate
Property Insights of 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate
The XLogP value of 4.1 indicates that 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, 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate?
The CAS number of 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate is 340137-10-2.
What is the molecular formula of 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate?
The molecular formula of 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate is C12H19ClO2.
What is the molecular weight of 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate?
The molecular weight of 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate is 230.11 g/mol.
Where can I buy 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate?
You can request a quote for 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 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-2,6-dienyl 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.