Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci)
TL;DR: Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci) (CAS 86453-70-5) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 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)acetonitrile
Also Known As: 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)acetonitrile, Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci)
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 86453-70-5 |
|---|---|
| SMILES | CC1(COC(=O)C1=CC#N)C |
| InChIKey | DOIVWBXNATYVFJ-UHFFFAOYSA-N |
Product Overview
Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci) (CAS 86453-70-5), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)acetonitrile.
Chemical Property Profile of Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci)
Property Insights of Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci). With a topological polar surface area (TPSA) of 50.1 Ų, Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci) 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 Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci)?
The CAS number of Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci) is 86453-70-5.
What is the molecular formula of Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci)?
The molecular formula of Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci) is C8H9NO2.
What is the molecular weight of Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci)?
The molecular weight of Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci) is 151.06 g/mol.
Where can I buy Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci)?
You can request a quote for Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci)?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile,(dihydro-4,4-dimethyl-2-oxo-3(2h)-furanylidene)-, (e)-(9ci) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.