![3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile structure](/static/products/1273/127389-40-6.webp)
3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile
TL;DR: 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile (CAS 127389-40-6) is a chemical compound with molecular formula C16H12ClNO2 and molecular weight 285.05566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(4-chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile
Also Known As: 3-[3-(4-chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile, 3-(4-CHLORO-2-METHYLPHENOXY)-BETA-OXO-BENZENEPROPANENITRILE, 3-[3-(4-chloro-2-methyl-phenoxy)phenyl]-3-oxo-propanenitrile
Technical Specifications
| Molecular Formula | C16H12ClNO2 |
| Molecular Weight | 285.05566 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.05566 Da |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
| SMILES | CC1=C(C=CC(=C1)Cl)OC2=CC=CC(=C2)C(=O)CC#N |
| InChIKey | BUPGHPJNKYLPDQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile
Property Insights of 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile
The XLogP value of 4.0 indicates that 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile 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
What is the CAS number of 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile?
The CAS number of 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile is 127389-40-6.
What is the molecular formula of 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile?
The molecular formula of 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile is C16H12ClNO2.
What is the molecular weight of 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile?
The molecular weight of 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile is 285.05566 g/mol.
Where can I buy 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile?
You can request a quote for 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-[3-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.