2,3-Diphenyloxirane-2,3-dicarbonitrile
TL;DR: 2,3-Diphenyloxirane-2,3-dicarbonitrile (CAS 4591-12-2) is a chemical compound with molecular formula C16H10N2O and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diphenyloxirane-2,3-dicarbonitrile
Also Known As: 2,3-diphenyloxirane-2,3-dicarbonitrile, 2, 2,3-diphenyl-, trans-, 2,3-dicyano-2,3-diphenyloxirane, DIPHENYLOXIRANE-2,3-DICARBONITRILE, 2,3-Oxiranedicarbonitrile, 2,3-diphenyl-
| Molecular Formula | C16H10N2O |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 60.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.07932 |
| Heavy Atoms | 19 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 4591-12-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(O2)(C#N)C3=CC=CC=C3)C#N |
| InChIKey | ZPLPDZCXFNDANZ-UHFFFAOYSA-N |
Product Overview
2,3-Diphenyloxirane-2,3-dicarbonitrile (CAS 4591-12-2), with molecular formula C16H10N2O and molecular weight 246.08 g/mol. IUPAC: 2,3-diphenyloxirane-2,3-dicarbonitrile.
Chemical Property Profile of 2,3-Diphenyloxirane-2,3-dicarbonitrile
Property Insights of 2,3-Diphenyloxirane-2,3-dicarbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Diphenyloxirane-2,3-dicarbonitrile. The TPSA of 60.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Diphenyloxirane-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 2,3-Diphenyloxirane-2,3-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 2,3-Diphenyloxirane-2,3-dicarbonitrile?
The CAS number of 2,3-Diphenyloxirane-2,3-dicarbonitrile is 4591-12-2.
What is the molecular formula of 2,3-Diphenyloxirane-2,3-dicarbonitrile?
The molecular formula of 2,3-Diphenyloxirane-2,3-dicarbonitrile is C16H10N2O.
What is the molecular weight of 2,3-Diphenyloxirane-2,3-dicarbonitrile?
The molecular weight of 2,3-Diphenyloxirane-2,3-dicarbonitrile is 246.08 g/mol.
Where can I buy 2,3-Diphenyloxirane-2,3-dicarbonitrile?
You can request a quote for 2,3-Diphenyloxirane-2,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diphenyloxirane-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diphenyloxirane-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.