3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile
TL;DR: 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile (CAS 300835-16-9) is a chemical compound with molecular formula C17H23NO and molecular weight 257.18 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-methylphenyl)propanenitrile
Also Known As: ChemDiv2_000569, BAS 01312613, 3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile, AB01321847-02, 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-3-p-tolyl-propionitrile
| Molecular Formula | C17H23NO |
|---|---|
| Molecular Weight | 257.18 g/mol |
| LogP | 4.1975 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.17798 |
| Heavy Atoms | 19 |
| Complexity | 455.14557 |
Chemical Identifiers
| CAS Number | 300835-16-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CC#N)C2CCOC(C2)(C)C |
Product Overview
3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile (CAS 300835-16-9), with molecular formula C17H23NO and molecular weight 257.18 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile.
Chemical Property Profile of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile
Property Insights of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile
The XLogP value of 4.1975 indicates that 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)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-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)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-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile?
The CAS number of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile is 300835-16-9.
What is the molecular formula of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile?
The molecular formula of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile is C17H23NO.
What is the molecular weight of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile?
The molecular weight of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile is 257.18 g/mol.
Where can I buy 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile?
You can request a quote for 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)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-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-Dimethyloxan-4-yl)-3-(4-methylphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.