3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile
TL;DR: 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile (CAS 356080-03-0) is a chemical compound with molecular formula C14H7ClN2O and molecular weight 254.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenoxy)benzene-1,2-dicarbonitrile
Also Known As: 3-(4-chlorophenoxy)phthalonitrile, 3-(4-chlorophenoxy)benzene-1,2-dicarbonitrile
| Molecular Formula | C14H7ClN2O |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 3.87566 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.02469 |
| Heavy Atoms | 18 |
| Complexity | 650.97473 |
Chemical Identifiers
| CAS Number | 356080-03-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)OC2=CC=C(C=C2)Cl)C#N)C#N |
Product Overview
3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile (CAS 356080-03-0), with molecular formula C14H7ClN2O and molecular weight 254.02 g/mol. IUPAC: 3-(4-chlorophenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile
Property Insights of 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile
The XLogP value of 3.87566 indicates that 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.81 Ų, 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile 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-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile?
The CAS number of 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile is 356080-03-0.
What is the molecular formula of 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile?
The molecular formula of 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile is C14H7ClN2O.
What is the molecular weight of 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile?
The molecular weight of 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile is 254.02 g/mol.
Where can I buy 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile?
You can request a quote for 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenoxy)benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.