1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile
TL;DR: 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile (CAS 78024-39-2) is a chemical compound with molecular formula C19H24N2O and molecular weight 296.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile
Also Known As: 1-tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile
| Molecular Formula | C19H24N2O |
|---|---|
| Molecular Weight | 296.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.18887 |
| Heavy Atoms | 22 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 78024-39-2 |
|---|---|
| SMILES | CCN(CC)C1=C(C(=O)C1(C#N)C(C)(C)C)C2=CC=CC=C2 |
| InChIKey | LLKJHNWWDDYUFM-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile (CAS 78024-39-2), with molecular formula C19H24N2O and molecular weight 296.19 g/mol. IUPAC: 1-tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile.
Chemical Property Profile of 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile
Property Insights of 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile
The XLogP value of 4.0 indicates that 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-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 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile?
The CAS number of 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile is 78024-39-2.
What is the molecular formula of 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile?
The molecular formula of 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile is C19H24N2O.
What is the molecular weight of 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile?
The molecular weight of 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile is 296.19 g/mol.
Where can I buy 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile?
You can request a quote for 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-2-(diethylamino)-4-oxo-3-phenylcyclobut-2-ene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.