3-氧代癸酸乙酯
TL;DR: 3-氧代癸酸乙酯 (CAS 13195-66-9) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氧代癸酸乙酯
ethyl 3-oxodecanoate
Also Known As: Ethyl 3-oxodecanoate, Pht-Gly-Onp, Decanoic acid, 3-oxo-, ethyl ester, 3-oxodecanoic acid ethyl ester, ethyl 3-oxidanylidenedecanoate
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 13195-66-9 |
|---|---|
| SMILES | CCCCCCCC(=O)CC(=O)OCC |
| InChIKey | YZKPCVHTRBTTAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氧代癸酸乙酯 (CAS 13195-66-9), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: ethyl 3-oxodecanoate.
Chemical Property Profile of 3-氧代癸酸乙酯
Property Insights of 3-氧代癸酸乙酯
The XLogP value of 3.3 indicates that 3-氧代癸酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3-氧代癸酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氧代癸酸乙酯 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 3-氧代癸酸乙酯?
The CAS number of 3-氧代癸酸乙酯 is 13195-66-9.
What is the molecular formula of 3-氧代癸酸乙酯?
The molecular formula of 3-氧代癸酸乙酯 is C12H22O3.
What is the molecular weight of 3-氧代癸酸乙酯?
The molecular weight of 3-氧代癸酸乙酯 is 214.16 g/mol.
Where can I buy 3-氧代癸酸乙酯?
You can request a quote for 3-氧代癸酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代癸酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代癸酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.