2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile
TL;DR: 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile (CAS 178979-79-8) 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.
2-[4-[4-(cyanomethyl)phenoxy]phenyl]acetonitrile
Also Known As: NCIOpen2_004095, p,p'-Bis-cyanomethyldiphenylether, Benzeneacetonitrile,4,4'-oxybis-, 2,2'-(oxydibenzene-4,1-diyl)diacetonitrile, Oxybis(4,1-phenylene)bisacetonitrile
| Molecular Formula | C16H12N2O |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.09496 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 178979-79-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)OC2=CC=C(C=C2)CC#N |
| InChIKey | IIAHESVPVNTKBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile (CAS 178979-79-8), with molecular formula C16H12N2O and molecular weight 248.09 g/mol. IUPAC: 2-[4-[4-(cyanomethyl)phenoxy]phenyl]acetonitrile.
Chemical Property Profile of 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile
Property Insights of 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile. With a topological polar surface area (TPSA) of 56.8 Ų, 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile 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 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile?
The CAS number of 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile is 178979-79-8.
What is the molecular formula of 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile?
The molecular formula of 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile is C16H12N2O.
What is the molecular weight of 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile?
The molecular weight of 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile is 248.09 g/mol.
Where can I buy 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile?
You can request a quote for 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(Oxydibenzene-4,1-diyl)diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.