3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile
TL;DR: 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile (CAS 289717-66-4) is a chemical compound with molecular formula C15H12Cl2N2O and molecular weight 306.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenoxy)-4-(methylaminomethyl)benzonitrile
Also Known As: 3-(3,4-dichlorophenoxy)-4-((methylamino)methyl)benzonitrile, 3-(3,4-dichlorophenoxy)-4-(methylaminomethyl)benzonitrile
| Molecular Formula | C15H12Cl2N2O |
|---|---|
| Molecular Weight | 306.03 g/mol |
| LogP | 4.37678 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.03265 |
| Heavy Atoms | 20 |
| Complexity | 665.40845 |
Chemical Identifiers
| CAS Number | 289717-66-4 |
|---|---|
| SMILES | CNCC1=C(C=C(C=C1)C#N)OC2=CC(=C(C=C2)Cl)Cl |
Product Overview
3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile (CAS 289717-66-4), with molecular formula C15H12Cl2N2O and molecular weight 306.03 g/mol. IUPAC: 3-(3,4-dichlorophenoxy)-4-(methylaminomethyl)benzonitrile.
Chemical Property Profile of 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile
Property Insights of 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile
The XLogP value of 4.37678 indicates that 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.05 Ų, 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile has 1 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-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile?
The CAS number of 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile is 289717-66-4.
What is the molecular formula of 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile?
The molecular formula of 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile is C15H12Cl2N2O.
What is the molecular weight of 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile?
The molecular weight of 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile is 306.03 g/mol.
Where can I buy 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile?
You can request a quote for 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dichlorophenoxy)-4-((methylamino)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.