4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile
TL;DR: 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile (CAS 92338-66-4) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile
Also Known As: 4-tert-butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile, 3-Furancarbonitrile, 4-(1,1-dimethylethyl)-2-(3-methyl-2-oxo-1-pyrrolidinyl)-, N-[3-cyano-4-(1,1-dimethylethyl)-2-furyl]-3-methyl-2-pyrrolidinone, RefChem:1071605
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 92338-66-4 |
|---|---|
| SMILES | CC1CCN(C1=O)C2=C(C(=CO2)C(C)(C)C)C#N |
| InChIKey | CQGJMYZCKWMOKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile (CAS 92338-66-4), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: 4-tert-butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile.
Chemical Property Profile of 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile
Property Insights of 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile. With a topological polar surface area (TPSA) of 57.2 Ų, 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-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 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile?
The CAS number of 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile is 92338-66-4.
What is the molecular formula of 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile?
The molecular formula of 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile is C14H18N2O2.
What is the molecular weight of 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile?
The molecular weight of 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile is 246.14 g/mol.
Where can I buy 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile?
You can request a quote for 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.