3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile
TL;DR: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile (CAS 363620-87-5) is a chemical compound with molecular formula C16H20FNO and molecular weight 261.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanenitrile
Also Known As: ChemDiv2_000650, 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanenitrile, 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile
| Molecular Formula | C16H20FNO |
|---|---|
| Molecular Weight | 261.15 g/mol |
| LogP | 4.02818 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1529 |
| Heavy Atoms | 19 |
| Complexity | 460.63245 |
Chemical Identifiers
| CAS Number | 363620-87-5 |
|---|---|
| SMILES | CC1(CC(CCO1)C(CC#N)C2=CC=C(C=C2)F)C |
Product Overview
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile (CAS 363620-87-5), with molecular formula C16H20FNO and molecular weight 261.15 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanenitrile.
Chemical Property Profile of 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile
Property Insights of 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile
The XLogP value of 4.02818 indicates that 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile has 0 hydrogen bond donor(s) and 2 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-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile?
The CAS number of 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile is 363620-87-5.
What is the molecular formula of 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile?
The molecular formula of 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile is C16H20FNO.
What is the molecular weight of 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile?
The molecular weight of 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile is 261.15 g/mol.
Where can I buy 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile?
You can request a quote for 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.