3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile
TL;DR: 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile (CAS 1024414-35-4) is a chemical compound with molecular formula C15H11Cl2NO and molecular weight 291.02176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dichloro-4-[(4-methylphenyl)methoxy]benzonitrile
Also Known As: 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile, 3,5-dichloro-4-[(4-methylphenyl)methoxy]benzonitrile, 3,5-Dichloro-4-(4-methyl-benzyloxy)-benzonitrile, 3,5-dichloro-4-[(4-methylbenzyl)oxy]benzonitrile
Technical Specifications
| Molecular Formula | C15H11Cl2NO |
| Molecular Weight | 291.02176 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.02176 Da |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
| SMILES | CC1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)C#N)Cl |
| InChIKey | PXHNCCDKPWNSFU-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile
Property Insights of 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile
The XLogP value of 4.7 indicates that 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile 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
What is the CAS number of 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile?
The CAS number of 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile is 1024414-35-4.
What is the molecular formula of 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile?
The molecular formula of 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile is C15H11Cl2NO.
What is the molecular weight of 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile?
The molecular weight of 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile is 291.02176 g/mol.
Where can I buy 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile?
You can request a quote for 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3,5-Dichloro-4-((4-methylbenzyl)oxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.