Nerolidyl acetate
TL;DR: Nerolidyl acetate (CAS 85611-33-2) is a chemical compound with molecular formula C17H28O2 and molecular weight 264.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate
Also Known As: Nerolidyl acetate, nerolidol acetate, nerolidylacetate, NEROLIDOL, ACETATE, E-Nerolidyl acetate
| Molecular Formula | C17H28O2 |
|---|---|
| Molecular Weight | 264.21 g/mol |
| LogP | 4.9671 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.20892 |
| Heavy Atoms | 19 |
| Complexity | 359.45834 |
Chemical Identifiers
| CAS Number | 85611-33-2 |
|---|---|
| SMILES | CC(=CCC/C(=C/CCC(C)(C=C)OC(=O)C)/C)C |
Product Overview
Nerolidyl acetate (CAS 85611-33-2), with molecular formula C17H28O2 and molecular weight 264.21 g/mol. IUPAC: [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate.
Chemical Property Profile of Nerolidyl acetate
Property Insights of Nerolidyl acetate
The XLogP value of 4.9671 indicates that Nerolidyl 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, Nerolidyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nerolidyl 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 Nerolidyl acetate?
The CAS number of Nerolidyl acetate is 85611-33-2.
What is the molecular formula of Nerolidyl acetate?
The molecular formula of Nerolidyl acetate is C17H28O2.
What is the molecular weight of Nerolidyl acetate?
The molecular weight of Nerolidyl acetate is 264.21 g/mol.
Where can I buy Nerolidyl acetate?
You can request a quote for Nerolidyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nerolidyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Nerolidyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.