![Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate structure](/static/products/1207/120729-52-4.webp)
Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate
TL;DR: Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate (CAS 120729-52-4) is a chemical compound with molecular formula C18H22FNO3 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetate
Also Known As: BAS 00232976, Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate, ethyl 2-cyano-2-(4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate, ethyl 2-cyano-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetate, Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate #
| Molecular Formula | C18H22FNO3 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1584 |
| Heavy Atoms | 23 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 120729-52-4 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1(CCOC(C1)(C)C)C2=CC=C(C=C2)F |
| InChIKey | AKKZDKYRMLSGJP-UHFFFAOYSA-N |
Product Overview
Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate (CAS 120729-52-4), with molecular formula C18H22FNO3 and molecular weight 319.16 g/mol. IUPAC: ethyl 2-cyano-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetate.
Chemical Property Profile of Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate
Property Insights of Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate
The XLogP value of 3.2 indicates that Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate has 0 hydrogen bond donor(s) and 5 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 cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate?
The CAS number of Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate is 120729-52-4.
What is the molecular formula of Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate?
The molecular formula of Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate is C18H22FNO3.
What is the molecular weight of Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate?
The molecular weight of Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate is 319.16 g/mol.
Where can I buy Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate?
You can request a quote for Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyano[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.