3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine
TL;DR: 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine (CAS 39785-81-4) is a chemical compound with molecular formula C14H25NO2 and molecular weight 239.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,6-dimethylhept-5-enyl)-1,3-oxazolidin-3-yl]ethanone
Also Known As: CITRONYL, Caswell No. 005AA, 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine, 3-Acetyl-2- oxazolidine, EPA Pesticide Chemical Code 113801
| Molecular Formula | C14H25NO2 |
|---|---|
| Molecular Weight | 239.19 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.18852 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 39785-81-4 |
|---|---|
| SMILES | CC(CCC=C(C)C)CC1N(CCO1)C(=O)C |
| InChIKey | RKYXURFVIOUABL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine (CAS 39785-81-4), with molecular formula C14H25NO2 and molecular weight 239.19 g/mol. IUPAC: 1-[2-(2,6-dimethylhept-5-enyl)-1,3-oxazolidin-3-yl]ethanone.
Chemical Property Profile of 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine
Property Insights of 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine
The XLogP value of 3.2 indicates that 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine 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-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine?
The CAS number of 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine is 39785-81-4.
What is the molecular formula of 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine?
The molecular formula of 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine is C14H25NO2.
What is the molecular weight of 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine?
The molecular weight of 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine is 239.19 g/mol.
Where can I buy 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine?
You can request a quote for 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-2-(2,6-dimethyl-5-heptenyl)oxazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.