3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile
TL;DR: 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile (CAS 201480-95-7) is a chemical compound with molecular formula C16H12N2O and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenoxy)benzene-1,2-dicarbonitrile
Also Known As: 3-(3,4-dimethylphenoxy)phthalonitrile, 3-(3,4-dimethylphenoxy)benzene-1,2-dicarbonitrile, 3-(3,4-Dimethylphenoxy)-1,2-benzenedicarbonitrile, 2-CYANO-3-(3,4-DIMETHYLPHENOXY)PHENYL CYANIDE
| Molecular Formula | C16H12N2O |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09496 |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 201480-95-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC2=CC=CC(=C2C#N)C#N)C |
| InChIKey | DXUWHCBHIGLKES-UHFFFAOYSA-N |
Product Overview
3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile (CAS 201480-95-7), with molecular formula C16H12N2O and molecular weight 248.09 g/mol. IUPAC: 3-(3,4-dimethylphenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile
Property Insights of 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile
The XLogP value of 3.6 indicates that 3-(3,4-Dimethylphenoxy)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 56.8 Ų, 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethylphenoxy)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-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile?
The CAS number of 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile is 201480-95-7.
What is the molecular formula of 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile?
The molecular formula of 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile is C16H12N2O.
What is the molecular weight of 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile?
The molecular weight of 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile is 248.09 g/mol.
Where can I buy 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile?
You can request a quote for 3-(3,4-Dimethylphenoxy)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-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethylphenoxy)benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.