2-甲基丙酸 2,4-己二烯-1-基酯
TL;DR: 2-甲基丙酸 2,4-己二烯-1-基酯 (CAS 16491-24-0) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丙酸 2,4-己二烯-1-基酯
hexa-2,4-dienyl 2-methylpropanoate
Also Known As: Sorbyl isobutyrate, 2,4-Hexadienyl isobutyrate, hexylchloroformate, Hexa-2,4-dienyl isobutyrate, 3,5-Hexadienyl isobutyrate
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
| Density | 0.902-0.906 |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.464-1.470 |
Chemical Identifiers
| CAS Number | 16491-24-0 |
|---|---|
| SMILES | CC=CC=CCOC(=O)C(C)C |
| InChIKey | CVYBRMSQMLJGOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基丙酸 2,4-己二烯-1-基酯 (CAS 16491-24-0), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: hexa-2,4-dienyl 2-methylpropanoate.
Chemical Property Profile of 2-甲基丙酸 2,4-己二烯-1-基酯
Property Insights of 2-甲基丙酸 2,4-己二烯-1-基酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基丙酸 2,4-己二烯-1-基酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2-甲基丙酸 2,4-己二烯-1-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丙酸 2,4-己二烯-1-基酯 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 2-甲基丙酸 2,4-己二烯-1-基酯?
The CAS number of 2-甲基丙酸 2,4-己二烯-1-基酯 is 16491-24-0.
What is the molecular formula of 2-甲基丙酸 2,4-己二烯-1-基酯?
The molecular formula of 2-甲基丙酸 2,4-己二烯-1-基酯 is C10H16O2.
What is the molecular weight of 2-甲基丙酸 2,4-己二烯-1-基酯?
The molecular weight of 2-甲基丙酸 2,4-己二烯-1-基酯 is 168.12 g/mol.
Where can I buy 2-甲基丙酸 2,4-己二烯-1-基酯?
You can request a quote for 2-甲基丙酸 2,4-己二烯-1-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丙酸 2,4-己二烯-1-基酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丙酸 2,4-己二烯-1-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.