alpha-Phenethylidene-4-morpholineacetonitrile
TL;DR: alpha-Phenethylidene-4-morpholineacetonitrile (CAS 33599-28-9) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-yl-4-phenylbut-2-enenitrile
Also Known As: alpha-Phenethylidene-4-morpholineacetonitrile, 2-(morpholin-4-yl)-4-phenylbut-2-enenitrile, alpha-(2-Phenylethylidene)-4-morpholineacetonitrile, I+/--(2-Phenylethylidene)-4-morpholineacetonitrile
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 33599-28-9 |
|---|---|
| SMILES | C1COCCN1C(=CCC2=CC=CC=C2)C#N |
| InChIKey | VIFHXFLUQBDBID-UHFFFAOYSA-N |
Product Overview
alpha-Phenethylidene-4-morpholineacetonitrile (CAS 33599-28-9), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: 2-morpholin-4-yl-4-phenylbut-2-enenitrile.
Chemical Property Profile of alpha-Phenethylidene-4-morpholineacetonitrile
Property Insights of alpha-Phenethylidene-4-morpholineacetonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Phenethylidene-4-morpholineacetonitrile. With a topological polar surface area (TPSA) of 36.3 Ų, alpha-Phenethylidene-4-morpholineacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Phenethylidene-4-morpholineacetonitrile 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 alpha-Phenethylidene-4-morpholineacetonitrile?
The CAS number of alpha-Phenethylidene-4-morpholineacetonitrile is 33599-28-9.
What is the molecular formula of alpha-Phenethylidene-4-morpholineacetonitrile?
The molecular formula of alpha-Phenethylidene-4-morpholineacetonitrile is C14H16N2O.
What is the molecular weight of alpha-Phenethylidene-4-morpholineacetonitrile?
The molecular weight of alpha-Phenethylidene-4-morpholineacetonitrile is 228.13 g/mol.
Where can I buy alpha-Phenethylidene-4-morpholineacetonitrile?
You can request a quote for alpha-Phenethylidene-4-morpholineacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Phenethylidene-4-morpholineacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-Phenethylidene-4-morpholineacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.