3-(2,4-Dichlorophenoxy)propanenitrile
TL;DR: 3-(2,4-Dichlorophenoxy)propanenitrile (CAS 33695-72-6) is a chemical compound with molecular formula C9H7Cl2NO and molecular weight 214.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenoxy)propanenitrile
Also Known As: 3-(2,4-dichlorophenoxy)propanenitrile, 3-(2,4-Dichloro-phenoxy)propanenitrile, 3-(2,4-Dichlorphenoxy)-propionitril, 3-(2,4-dichloro-phenoxy)-propionitrile, AJ-087/41885633
| Molecular Formula | C9H7Cl2NO |
|---|---|
| Molecular Weight | 214.99 g/mol |
| LogP | 3.28588 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.99046 |
| Heavy Atoms | 13 |
| Complexity | 332.87686 |
Chemical Identifiers
| CAS Number | 33695-72-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCCC#N |
Product Overview
3-(2,4-Dichlorophenoxy)propanenitrile (CAS 33695-72-6), with molecular formula C9H7Cl2NO and molecular weight 214.99 g/mol. IUPAC: 3-(2,4-dichlorophenoxy)propanenitrile.
Chemical Property Profile of 3-(2,4-Dichlorophenoxy)propanenitrile
Property Insights of 3-(2,4-Dichlorophenoxy)propanenitrile
The XLogP value of 3.28588 indicates that 3-(2,4-Dichlorophenoxy)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-(2,4-Dichlorophenoxy)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-Dichlorophenoxy)propanenitrile 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 3-(2,4-Dichlorophenoxy)propanenitrile?
The CAS number of 3-(2,4-Dichlorophenoxy)propanenitrile is 33695-72-6.
What is the molecular formula of 3-(2,4-Dichlorophenoxy)propanenitrile?
The molecular formula of 3-(2,4-Dichlorophenoxy)propanenitrile is C9H7Cl2NO.
What is the molecular weight of 3-(2,4-Dichlorophenoxy)propanenitrile?
The molecular weight of 3-(2,4-Dichlorophenoxy)propanenitrile is 214.99 g/mol.
Where can I buy 3-(2,4-Dichlorophenoxy)propanenitrile?
You can request a quote for 3-(2,4-Dichlorophenoxy)propanenitrile 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-Dichlorophenoxy)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dichlorophenoxy)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.