1-(3-Methoxyphenyl)tridecane-1-carbonitrile
TL;DR: 1-(3-Methoxyphenyl)tridecane-1-carbonitrile (CAS 97692-46-1) is a chemical compound with molecular formula C21H33NO and molecular weight 315.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxyphenyl)tetradecanenitrile
Also Known As: 2-(3-methoxyphenyl)tetradecanenitrile, 1-(3-Methoxyphenyl)tridecane-1-carbonitrile, Benzeneacetonitrile,a-dodecyl-3-methoxy-, alpha-Dodecyl-3-methoxybenzeneacetonitrile, Benzeneacetonitrile, a-dodecyl-3-methoxy-
| Molecular Formula | C21H33NO |
|---|---|
| Molecular Weight | 315.26 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 315.25623 |
| Heavy Atoms | 23 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 97692-46-1 |
|---|---|
| SMILES | CCCCCCCCCCCCC(C#N)C1=CC(=CC=C1)OC |
| InChIKey | XQFUAOZYESVVFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Methoxyphenyl)tridecane-1-carbonitrile (CAS 97692-46-1), with molecular formula C21H33NO and molecular weight 315.26 g/mol. IUPAC: 2-(3-methoxyphenyl)tetradecanenitrile.
Chemical Property Profile of 1-(3-Methoxyphenyl)tridecane-1-carbonitrile
Property Insights of 1-(3-Methoxyphenyl)tridecane-1-carbonitrile
The XLogP value of 7.9 indicates that 1-(3-Methoxyphenyl)tridecane-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 1-(3-Methoxyphenyl)tridecane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methoxyphenyl)tridecane-1-carbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Methoxyphenyl)tridecane-1-carbonitrile?
The CAS number of 1-(3-Methoxyphenyl)tridecane-1-carbonitrile is 97692-46-1.
What is the molecular formula of 1-(3-Methoxyphenyl)tridecane-1-carbonitrile?
The molecular formula of 1-(3-Methoxyphenyl)tridecane-1-carbonitrile is C21H33NO.
What is the molecular weight of 1-(3-Methoxyphenyl)tridecane-1-carbonitrile?
The molecular weight of 1-(3-Methoxyphenyl)tridecane-1-carbonitrile is 315.26 g/mol.
Where can I buy 1-(3-Methoxyphenyl)tridecane-1-carbonitrile?
You can request a quote for 1-(3-Methoxyphenyl)tridecane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methoxyphenyl)tridecane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxyphenyl)tridecane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.