Ethyl 3-butyl-2-cyano-3-ethyldecanoate
TL;DR: Ethyl 3-butyl-2-cyano-3-ethyldecanoate (CAS 30962-72-2) is a chemical compound with molecular formula C19H35NO2 and molecular weight 309.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-butyl-2-cyano-3-ethyldecanoate
Also Known As: ethyl 3-butyl-2-cyano-3-ethyldecanoate, Ethyl-2-cyano-3-ethyl-3-n-butyl-decanoat, Decanoic acid, 3-butyl-2-cyano-3-ethyl-, ethyl ester
| Molecular Formula | C19H35NO2 |
|---|---|
| Molecular Weight | 309.27 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 309.26678 |
| Heavy Atoms | 22 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 30962-72-2 |
|---|---|
| SMILES | CCCCCCCC(CC)(CCCC)C(C#N)C(=O)OCC |
| InChIKey | WCNMOCUDNHOEHP-UHFFFAOYSA-N |
Product Overview
Ethyl 3-butyl-2-cyano-3-ethyldecanoate (CAS 30962-72-2), with molecular formula C19H35NO2 and molecular weight 309.27 g/mol. IUPAC: ethyl 3-butyl-2-cyano-3-ethyldecanoate.
Chemical Property Profile of Ethyl 3-butyl-2-cyano-3-ethyldecanoate
Property Insights of Ethyl 3-butyl-2-cyano-3-ethyldecanoate
The XLogP value of 7.5 indicates that Ethyl 3-butyl-2-cyano-3-ethyldecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 3-butyl-2-cyano-3-ethyldecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-butyl-2-cyano-3-ethyldecanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-butyl-2-cyano-3-ethyldecanoate?
The CAS number of Ethyl 3-butyl-2-cyano-3-ethyldecanoate is 30962-72-2.
What is the molecular formula of Ethyl 3-butyl-2-cyano-3-ethyldecanoate?
The molecular formula of Ethyl 3-butyl-2-cyano-3-ethyldecanoate is C19H35NO2.
What is the molecular weight of Ethyl 3-butyl-2-cyano-3-ethyldecanoate?
The molecular weight of Ethyl 3-butyl-2-cyano-3-ethyldecanoate is 309.27 g/mol.
Where can I buy Ethyl 3-butyl-2-cyano-3-ethyldecanoate?
You can request a quote for Ethyl 3-butyl-2-cyano-3-ethyldecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-butyl-2-cyano-3-ethyldecanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-butyl-2-cyano-3-ethyldecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.