3-Phenyloxirane-2,2,3-tricarbonitrile
TL;DR: 3-Phenyloxirane-2,2,3-tricarbonitrile (CAS 3041-51-8) is a chemical compound with molecular formula C11H5N3O and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyloxirane-2,2,3-tricarbonitrile
Also Known As: 3-phenyloxirane-2,2,3-tricarbonitrile, 1-Phenyl-1.2.2-tricyan-ethylenoxid
| Molecular Formula | C11H5N3O |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.04326 |
| Heavy Atoms | 15 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 3041-51-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(O2)(C#N)C#N)C#N |
| InChIKey | XTFKXUBRIIEBCW-UHFFFAOYSA-N |
Product Overview
3-Phenyloxirane-2,2,3-tricarbonitrile (CAS 3041-51-8), with molecular formula C11H5N3O and molecular weight 195.04 g/mol. IUPAC: 3-phenyloxirane-2,2,3-tricarbonitrile.
Chemical Property Profile of 3-Phenyloxirane-2,2,3-tricarbonitrile
Property Insights of 3-Phenyloxirane-2,2,3-tricarbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyloxirane-2,2,3-tricarbonitrile. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyloxirane-2,2,3-tricarbonitrile. Following Lipinski's Rule of Five, 3-Phenyloxirane-2,2,3-tricarbonitrile has 0 hydrogen bond donor(s) and 4 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-Phenyloxirane-2,2,3-tricarbonitrile?
The CAS number of 3-Phenyloxirane-2,2,3-tricarbonitrile is 3041-51-8.
What is the molecular formula of 3-Phenyloxirane-2,2,3-tricarbonitrile?
The molecular formula of 3-Phenyloxirane-2,2,3-tricarbonitrile is C11H5N3O.
What is the molecular weight of 3-Phenyloxirane-2,2,3-tricarbonitrile?
The molecular weight of 3-Phenyloxirane-2,2,3-tricarbonitrile is 195.04 g/mol.
Where can I buy 3-Phenyloxirane-2,2,3-tricarbonitrile?
You can request a quote for 3-Phenyloxirane-2,2,3-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyloxirane-2,2,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyloxirane-2,2,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.