2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile
TL;DR: 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile (CAS 82698-94-0) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedinitrile
Also Known As: 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedinitrile, (4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile, RefChem:251771
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 82698-94-0 |
|---|---|
| SMILES | CC1(COC(=O)C1=C(C#N)C#N)C |
| InChIKey | CSBZXUNMMYGOOS-UHFFFAOYSA-N |
Product Overview
2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile (CAS 82698-94-0), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedinitrile.
Chemical Property Profile of 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile
Property Insights of 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile 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 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile?
The CAS number of 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile is 82698-94-0.
What is the molecular formula of 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile?
The molecular formula of 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile is C9H8N2O2.
What is the molecular weight of 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile?
The molecular weight of 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile is 176.06 g/mol.
Where can I buy 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile?
You can request a quote for 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.