3-Morpholino-2-butenanilide
TL;DR: 3-Morpholino-2-butenanilide (CAS 821797-80-2) 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.
3-morpholin-4-yl-N-phenylbut-2-enamide
Also Known As: 3-morpholino-2-butenanilide, ChemDiv3_005397, 3-morpholin-4-yl-N-phenylbut-2-enamide, BAS 00281180, 2-Butenamide, 3-(4-morpholinyl)-N-phenyl-
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 821797-80-2 |
|---|---|
| SMILES | CC(=CC(=O)NC1=CC=CC=C1)N2CCOCC2 |
| InChIKey | RKWCRGHPMNSTCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Morpholino-2-butenanilide (CAS 821797-80-2), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: 3-morpholin-4-yl-N-phenylbut-2-enamide.
Chemical Property Profile of 3-Morpholino-2-butenanilide
Property Insights of 3-Morpholino-2-butenanilide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Morpholino-2-butenanilide. With a topological polar surface area (TPSA) of 41.6 Ų, 3-Morpholino-2-butenanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Morpholino-2-butenanilide has 1 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-Morpholino-2-butenanilide?
The CAS number of 3-Morpholino-2-butenanilide is 821797-80-2.
What is the molecular formula of 3-Morpholino-2-butenanilide?
The molecular formula of 3-Morpholino-2-butenanilide is C14H18N2O2.
What is the molecular weight of 3-Morpholino-2-butenanilide?
The molecular weight of 3-Morpholino-2-butenanilide is 246.14 g/mol.
Where can I buy 3-Morpholino-2-butenanilide?
You can request a quote for 3-Morpholino-2-butenanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Morpholino-2-butenanilide?
Yes, KEHONG BIO provides custom synthesis services for 3-Morpholino-2-butenanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.