![3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile structure](/static/products/5504/55044-22-9.webp)
3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile
TL;DR: 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile (CAS 55044-22-9) is a chemical compound with molecular formula C21H22N2O and molecular weight 318.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,2-dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile
Also Known As: 3-[(2,2-dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile, Propanenitrile, 3-[(2,2-dimethyl-4,4-diphenyl-3-oxetanylidene)amino]-2-methyl-, 3-([(3E)-2,2-Dimethyl-4,4-diphenyloxetanylidene]amino)-2-methylpropanenitrile, 3-([(3E)-2,2-Dimethyl-4,4-diphenyloxetanylidene]amino)-2-methylpropanenitrile #, 3-[(E)-(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile
| Molecular Formula | C21H22N2O |
|---|---|
| Molecular Weight | 318.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.17322 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 55044-22-9 |
|---|---|
| SMILES | CC(CN=C1C(OC1(C2=CC=CC=C2)C3=CC=CC=C3)(C)C)C#N |
| InChIKey | FSFXUSOEVVHABW-UHFFFAOYSA-N |
Product Overview
3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile (CAS 55044-22-9), with molecular formula C21H22N2O and molecular weight 318.17 g/mol. IUPAC: 3-[(2,2-dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile.
Chemical Property Profile of 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile
Property Insights of 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile
The XLogP value of 3.9 indicates that 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.4 Ų, 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile 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 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile?
The CAS number of 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile is 55044-22-9.
What is the molecular formula of 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile?
The molecular formula of 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile is C21H22N2O.
What is the molecular weight of 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile?
The molecular weight of 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile is 318.17 g/mol.
Where can I buy 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile?
You can request a quote for 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,2-Dimethyl-4,4-diphenyloxetan-3-ylidene)amino]-2-methylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.