3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile
TL;DR: 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile (CAS 309270-87-9) is a chemical compound with molecular formula C17H23NO2 and molecular weight 273.17 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-methoxyphenyl)propanenitrile
Also Known As: TimTec1_005641, BAS 01312625, AB00101453-01, 3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile, A2068/0086991
| Molecular Formula | C17H23NO2 |
|---|---|
| Molecular Weight | 273.17 g/mol |
| LogP | 3.89768 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.17288 |
| Heavy Atoms | 20 |
| Complexity | 472.7585 |
Chemical Identifiers
| CAS Number | 309270-87-9 |
|---|---|
| SMILES | CC1(CC(CCO1)C(CC#N)C2=CC=C(C=C2)OC)C |
Product Overview
3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile (CAS 309270-87-9), with molecular formula C17H23NO2 and molecular weight 273.17 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile.
Chemical Property Profile of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile
Property Insights of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile
The XLogP value of 3.89768 indicates that 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)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-methoxyphenyl)propanenitrile has 0 hydrogen bond donor(s) and 3 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-methoxyphenyl)propanenitrile?
The CAS number of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile is 309270-87-9.
What is the molecular formula of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile?
The molecular formula of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile is C17H23NO2.
What is the molecular weight of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile?
The molecular weight of 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile is 273.17 g/mol.
Where can I buy 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile?
You can request a quote for 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)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-methoxyphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-Dimethyloxan-4-yl)-3-(4-methoxyphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.