![3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile structure](/static/products/866/866153-32-4.png)
3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile
TL;DR: 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile (CAS 866153-32-4) is a chemical compound with molecular formula C16H12ClNO2 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile
Also Known As: 3-[2-(4-chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile, 3-[2-(4-chloro-2-methyl-phenoxy)phenyl]-3-keto-propionitrile, 3-[2-(4-chloro-2-methyl-phenoxy)phenyl]-3-oxo-propanenitrile, 3-[2-(4-chloranyl-2-methyl-phenoxy)phenyl]-3-oxidanylidene-propanenitrile
| Molecular Formula | C16H12ClNO2 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 4.5371 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.05566 |
| Heavy Atoms | 20 |
| Complexity | 689.1165 |
Chemical Identifiers
| CAS Number | 866153-32-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC2=CC=CC=C2C(=O)CC#N |
Product Overview
3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile (CAS 866153-32-4), with molecular formula C16H12ClNO2 and molecular weight 285.06 g/mol. IUPAC: 3-[2-(4-chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile.
Chemical Property Profile of 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile
Property Insights of 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile
The XLogP value of 4.5371 indicates that 3-[2-(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 50.09 Ų, 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(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
Frequently Asked Questions
What is the CAS number of 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile?
The CAS number of 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile is 866153-32-4.
What is the molecular formula of 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile?
The molecular formula of 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile is C16H12ClNO2.
What is the molecular weight of 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile?
The molecular weight of 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile is 285.06 g/mol.
Where can I buy 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile?
You can request a quote for 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-Chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.