癸基氰基乙酸酯
TL;DR: 癸基氰基乙酸酯 (CAS 17686-43-0) is a chemical compound with molecular formula C13H23NO2 and molecular weight 225.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
癸基氰基乙酸酯
decyl 2-cyanoacetate
Also Known As: Decyl cyanoacetate, decyl 2-cyanoacetate, n-DECYL CYANOACETATE, Cyanoacetic acid decyl ester, Cyanoacetic acid, decyl ester
| Molecular Formula | C13H23NO2 |
|---|---|
| Molecular Weight | 225.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 225.17288 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 17686-43-0 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CC#N |
| InChIKey | FEPOSCQQECTWHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
癸基氰基乙酸酯 (CAS 17686-43-0), with molecular formula C13H23NO2 and molecular weight 225.17 g/mol. IUPAC: decyl 2-cyanoacetate.
Chemical Property Profile of 癸基氰基乙酸酯
Property Insights of 癸基氰基乙酸酯
The XLogP value of 4.4 indicates that 癸基氰基乙酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 癸基氰基乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 癸基氰基乙酸酯 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 癸基氰基乙酸酯?
The CAS number of 癸基氰基乙酸酯 is 17686-43-0.
What is the molecular formula of 癸基氰基乙酸酯?
The molecular formula of 癸基氰基乙酸酯 is C13H23NO2.
What is the molecular weight of 癸基氰基乙酸酯?
The molecular weight of 癸基氰基乙酸酯 is 225.17 g/mol.
Where can I buy 癸基氰基乙酸酯?
You can request a quote for 癸基氰基乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 癸基氰基乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 癸基氰基乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.