4-(2,4-Dimethylphenoxy)benzenecarbonitrile
TL;DR: 4-(2,4-Dimethylphenoxy)benzenecarbonitrile (CAS 449778-70-5) is a chemical compound with molecular formula C15H13NO and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethylphenoxy)benzonitrile
Also Known As: 4-(2,4-dimethylphenoxy)benzonitrile, 4-(2,4-dimethylphenoxy)benzenecarbonitrile, Bionet2_000540, dimethylphenoxybenzenecarbonitrile, N,N-Diisopropyl-2-methylpropylamin
| Molecular Formula | C15H13NO |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 3.96742 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.09972 |
| Heavy Atoms | 17 |
| Complexity | 564.46594 |
Chemical Identifiers
| CAS Number | 449778-70-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC2=CC=C(C=C2)C#N)C |
Product Overview
4-(2,4-Dimethylphenoxy)benzenecarbonitrile (CAS 449778-70-5), with molecular formula C15H13NO and molecular weight 223.10 g/mol. IUPAC: 4-(2,4-dimethylphenoxy)benzonitrile.
Chemical Property Profile of 4-(2,4-Dimethylphenoxy)benzenecarbonitrile
Property Insights of 4-(2,4-Dimethylphenoxy)benzenecarbonitrile
The XLogP value of 3.96742 indicates that 4-(2,4-Dimethylphenoxy)benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 4-(2,4-Dimethylphenoxy)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-Dimethylphenoxy)benzenecarbonitrile 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 4-(2,4-Dimethylphenoxy)benzenecarbonitrile?
The CAS number of 4-(2,4-Dimethylphenoxy)benzenecarbonitrile is 449778-70-5.
What is the molecular formula of 4-(2,4-Dimethylphenoxy)benzenecarbonitrile?
The molecular formula of 4-(2,4-Dimethylphenoxy)benzenecarbonitrile is C15H13NO.
What is the molecular weight of 4-(2,4-Dimethylphenoxy)benzenecarbonitrile?
The molecular weight of 4-(2,4-Dimethylphenoxy)benzenecarbonitrile is 223.10 g/mol.
Where can I buy 4-(2,4-Dimethylphenoxy)benzenecarbonitrile?
You can request a quote for 4-(2,4-Dimethylphenoxy)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dimethylphenoxy)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dimethylphenoxy)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.