Ethyl 2-cyano-2-fluorohexanoate
TL;DR: Ethyl 2-cyano-2-fluorohexanoate (CAS 21278-86-4) is a chemical compound with molecular formula C9H14FNO2 and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-fluorohexanoate
Also Known As: ethyl 2-cyano-2-fluorohexanoate, NCIOpen2_001135, ETHYL 2-CYANO-2-FLUORO-HEXANOATE, Hexanoic acid, 2-cyano-2-fluoro-, ethyl ester
| Molecular Formula | C9H14FNO2 |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.10086 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 21278-86-4 |
|---|---|
| SMILES | CCCCC(C#N)(C(=O)OCC)F |
| InChIKey | OXSFGCXQEUAXGI-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-2-fluorohexanoate (CAS 21278-86-4), with molecular formula C9H14FNO2 and molecular weight 187.10 g/mol. IUPAC: ethyl 2-cyano-2-fluorohexanoate.
Chemical Property Profile of Ethyl 2-cyano-2-fluorohexanoate
Property Insights of Ethyl 2-cyano-2-fluorohexanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-fluorohexanoate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyano-2-fluorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-fluorohexanoate has 0 hydrogen bond donor(s) and 4 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 Ethyl 2-cyano-2-fluorohexanoate?
The CAS number of Ethyl 2-cyano-2-fluorohexanoate is 21278-86-4.
What is the molecular formula of Ethyl 2-cyano-2-fluorohexanoate?
The molecular formula of Ethyl 2-cyano-2-fluorohexanoate is C9H14FNO2.
What is the molecular weight of Ethyl 2-cyano-2-fluorohexanoate?
The molecular weight of Ethyl 2-cyano-2-fluorohexanoate is 187.10 g/mol.
Where can I buy Ethyl 2-cyano-2-fluorohexanoate?
You can request a quote for Ethyl 2-cyano-2-fluorohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-2-fluorohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-fluorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.