![2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile structure](/static/products/3374/337485-98-0.webp)
2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile
TL;DR: 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile (CAS 337485-98-0) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile
Also Known As: BAS 01312610, 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile, [4-(4-methoxyphenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetonitrile, [4-(4-Methoxy-phenyl)-2,2-dimethyl-tetrahydro-pyran-4-yl]-acetonitrile, 2-(4-(4-methoxyphenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 3.43568 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 472.51746 |
Chemical Identifiers
| CAS Number | 337485-98-0 |
|---|---|
| SMILES | CC1(CC(CCO1)(CC#N)C2=CC=C(C=C2)OC)C |
Product Overview
2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile (CAS 337485-98-0), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: 2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile.
Chemical Property Profile of 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile
Property Insights of 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile
The XLogP value of 3.43568 indicates that 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile 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 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile?
The CAS number of 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile is 337485-98-0.
What is the molecular formula of 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile?
The molecular formula of 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile is C16H21NO2.
What is the molecular weight of 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile?
The molecular weight of 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile is 259.16 g/mol.
Where can I buy 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile?
You can request a quote for 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Methoxyphenyl)-2,2-dimethyloxan-4-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.