碳酸乙基辛炔酯
TL;DR: 碳酸乙基辛炔酯 (CAS 1322-12-9) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳酸乙基辛炔酯
ethyl oct-1-ynyl carbonate
Also Known As: Ethyl octine carbonate, Ethyl octyne carbonate, ethyl oct-1-ynyl carbonate, Ethyl 2-nonynoate,98, CARBONIC ACID, ETHYL OCTYNYL ESTER
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 1322-12-9 |
|---|---|
| SMILES | CCCCCCC#COC(=O)OCC |
| InChIKey | PYEYQVUFMQXYGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碳酸乙基辛炔酯 (CAS 1322-12-9), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: ethyl oct-1-ynyl carbonate.
Chemical Property Profile of 碳酸乙基辛炔酯
Property Insights of 碳酸乙基辛炔酯
The XLogP value of 4.4 indicates that 碳酸乙基辛炔酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 碳酸乙基辛炔酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碳酸乙基辛炔酯 has 0 hydrogen bond donor(s) and 3 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 碳酸乙基辛炔酯?
The CAS number of 碳酸乙基辛炔酯 is 1322-12-9.
What is the molecular formula of 碳酸乙基辛炔酯?
The molecular formula of 碳酸乙基辛炔酯 is C11H18O3.
What is the molecular weight of 碳酸乙基辛炔酯?
The molecular weight of 碳酸乙基辛炔酯 is 198.13 g/mol.
Where can I buy 碳酸乙基辛炔酯?
You can request a quote for 碳酸乙基辛炔酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳酸乙基辛炔酯?
Yes, KEHONG BIO provides custom synthesis services for 碳酸乙基辛炔酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.