6-Chloro-3,7-dimethyl-2,7-octadienyl acetate
TL;DR: 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate (CAS 74514-19-5) 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)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate
Also Known As: 6-chloro-3,7-dimethyl-2,7-octadienyl acetate, 6-Chloro-3,7-dimethyl-2,7-octadienyl=acetate, 6-chloro-3,7-dimethyl-octa-2,7-dien-1-yl acetate, acetic acid,6-chloro-3,7-dimethylocta-2,7-dien-1-ol, 6-chloro-3,7-dimethylocta-2,7-dien-1-yl acetate
| Molecular Formula | C12H19ClO2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 3.4595 |
| 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 | 256.34775 |
Chemical Identifiers
| CAS Number | 74514-19-5 |
|---|---|
| SMILES | CC(=C)C(CC/C(=C/COC(=O)C)/C)Cl |
Product Overview
6-Chloro-3,7-dimethyl-2,7-octadienyl acetate (CAS 74514-19-5), with molecular formula C12H19ClO2 and molecular weight 230.11 g/mol. IUPAC: [(2E)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate.
Chemical Property Profile of 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate
Property Insights of 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate
The XLogP value of 3.4595 indicates that 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate 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 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate?
The CAS number of 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate is 74514-19-5.
What is the molecular formula of 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate?
The molecular formula of 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate is C12H19ClO2.
What is the molecular weight of 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate?
The molecular weight of 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate is 230.11 g/mol.
Where can I buy 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate?
You can request a quote for 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3,7-dimethyl-2,7-octadienyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.