1,2-Benzenedicarbonitrile, 4,4'-oxybis-
TL;DR: 1,2-Benzenedicarbonitrile, 4,4'-oxybis- (CAS 23277-29-4) is a chemical compound with molecular formula C16H6N4O and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dicyanophenoxy)benzene-1,2-dicarbonitrile
Also Known As: 4,4'-oxydiphthalonitrile, 4,4'-Oxybis(phthalonitrile), NCIOpen2_005868, 1,2-Benzenedicarbonitrile, 4,4'-oxybis-, Phthalonitrile, 4,4'-oxydi-
| Molecular Formula | C16H6N4O |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.05417 |
| Heavy Atoms | 21 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 23277-29-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC2=CC(=C(C=C2)C#N)C#N)C#N)C#N |
| InChIKey | XMTHKRUBGGLPJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarbonitrile, 4,4'-oxybis- (CAS 23277-29-4), with molecular formula C16H6N4O and molecular weight 270.05 g/mol. IUPAC: 4-(3,4-dicyanophenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 1,2-Benzenedicarbonitrile, 4,4'-oxybis-
Property Insights of 1,2-Benzenedicarbonitrile, 4,4'-oxybis-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarbonitrile, 4,4'-oxybis-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarbonitrile, 4,4'-oxybis-. Following Lipinski's Rule of Five, 1,2-Benzenedicarbonitrile, 4,4'-oxybis- has 0 hydrogen bond donor(s) and 5 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 1,2-Benzenedicarbonitrile, 4,4'-oxybis-?
The CAS number of 1,2-Benzenedicarbonitrile, 4,4'-oxybis- is 23277-29-4.
What is the molecular formula of 1,2-Benzenedicarbonitrile, 4,4'-oxybis-?
The molecular formula of 1,2-Benzenedicarbonitrile, 4,4'-oxybis- is C16H6N4O.
What is the molecular weight of 1,2-Benzenedicarbonitrile, 4,4'-oxybis-?
The molecular weight of 1,2-Benzenedicarbonitrile, 4,4'-oxybis- is 270.05 g/mol.
Where can I buy 1,2-Benzenedicarbonitrile, 4,4'-oxybis-?
You can request a quote for 1,2-Benzenedicarbonitrile, 4,4'-oxybis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarbonitrile, 4,4'-oxybis-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarbonitrile, 4,4'-oxybis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.