Myrcenylacetat
TL;DR: Myrcenylacetat (CAS 68412-04-4) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethenyl-6-methylhept-5-enyl) acetate
Also Known As: Myrcenylacetat, Acetylated myrcene, 6-Methyl-2-vinyl-5-heptenyl acetate #, (2-ethenyl-6-methylhept-5-enyl) acetate, 1,6-Octadiene, 7-methyl-3-methylene-, acetylated
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 68412-04-4 |
|---|---|
| SMILES | CC(=CCCC(COC(=O)C)C=C)C |
| InChIKey | WZJLVKCNKMFUGH-UHFFFAOYSA-N |
Product Overview
Myrcenylacetat (CAS 68412-04-4), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: (2-ethenyl-6-methylhept-5-enyl) acetate.
Chemical Property Profile of Myrcenylacetat
Property Insights of Myrcenylacetat
The XLogP value of 3.3 indicates that Myrcenylacetat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Myrcenylacetat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Myrcenylacetat 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 Myrcenylacetat?
The CAS number of Myrcenylacetat is 68412-04-4.
What is the molecular formula of Myrcenylacetat?
The molecular formula of Myrcenylacetat is C12H20O2.
What is the molecular weight of Myrcenylacetat?
The molecular weight of Myrcenylacetat is 196.15 g/mol.
Where can I buy Myrcenylacetat?
You can request a quote for Myrcenylacetat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myrcenylacetat?
Yes, KEHONG BIO provides custom synthesis services for Myrcenylacetat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.