新壬酸乙烯酯
TL;DR: 新壬酸乙烯酯 (CAS 54423-67-5) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新壬酸乙烯酯
ethenyl 6,6-dimethylheptanoate
Also Known As: Vinyl neononanoate, vinylneononanoate, ethenyl 6,6-dimethylheptanoate, Neononanoic acid,ethenyl ester, Neononanoic acid, ethenyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 54423-67-5 |
|---|---|
| SMILES | CC(C)(C)CCCCC(=O)OC=C |
| InChIKey | WBZPMFHFKXZDRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
新壬酸乙烯酯 (CAS 54423-67-5), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: ethenyl 6,6-dimethylheptanoate.
Chemical Property Profile of 新壬酸乙烯酯
Property Insights of 新壬酸乙烯酯
The XLogP value of 3.7 indicates that 新壬酸乙烯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 新壬酸乙烯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新壬酸乙烯酯 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 新壬酸乙烯酯?
The CAS number of 新壬酸乙烯酯 is 54423-67-5.
What is the molecular formula of 新壬酸乙烯酯?
The molecular formula of 新壬酸乙烯酯 is C11H20O2.
What is the molecular weight of 新壬酸乙烯酯?
The molecular weight of 新壬酸乙烯酯 is 184.15 g/mol.
Where can I buy 新壬酸乙烯酯?
You can request a quote for 新壬酸乙烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新壬酸乙烯酯?
Yes, KEHONG BIO provides custom synthesis services for 新壬酸乙烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.