2,2-Dimethyl-5-oxooxolane-3-carbonitrile
TL;DR: 2,2-Dimethyl-5-oxooxolane-3-carbonitrile (CAS 69247-10-5) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-oxooxolane-3-carbonitrile
Also Known As: 2,2-dimethyl-5-oxooxolane-3-carbonitrile, Butyrolactone, 3-cyano-4,4-dimethyl-, 2,2-dimethyl-5-oxotetrahydrofuran-3-carbonitrile, 2,2-Dimethyl-5-oxotetrahydro-3-furancarbonitrile #, 2,2-dimethyl-5-oxo-2,3,4-trihydrofuran-3-carbonitrile
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 69247-10-5 |
|---|---|
| SMILES | CC1(C(CC(=O)O1)C#N)C |
| InChIKey | KGUHSNHZJNPLAB-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-5-oxooxolane-3-carbonitrile (CAS 69247-10-5), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: 2,2-dimethyl-5-oxooxolane-3-carbonitrile.
Chemical Property Profile of 2,2-Dimethyl-5-oxooxolane-3-carbonitrile
Property Insights of 2,2-Dimethyl-5-oxooxolane-3-carbonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-oxooxolane-3-carbonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 2,2-Dimethyl-5-oxooxolane-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-oxooxolane-3-carbonitrile 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-Dimethyl-5-oxooxolane-3-carbonitrile?
The CAS number of 2,2-Dimethyl-5-oxooxolane-3-carbonitrile is 69247-10-5.
What is the molecular formula of 2,2-Dimethyl-5-oxooxolane-3-carbonitrile?
The molecular formula of 2,2-Dimethyl-5-oxooxolane-3-carbonitrile is C7H9NO2.
What is the molecular weight of 2,2-Dimethyl-5-oxooxolane-3-carbonitrile?
The molecular weight of 2,2-Dimethyl-5-oxooxolane-3-carbonitrile is 139.06 g/mol.
Where can I buy 2,2-Dimethyl-5-oxooxolane-3-carbonitrile?
You can request a quote for 2,2-Dimethyl-5-oxooxolane-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-5-oxooxolane-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-oxooxolane-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.