Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-
TL;DR: Morpholine, 4-(3-methyl-1-oxo-2-butenyl)- (CAS 5402-68-6) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-morpholin-4-ylbut-2-en-1-one
Also Known As: AI3-36393-Ga, 4-(3-Methyl-1-oxo-2-butenyl)morpholine, Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-, 3,3-dimethylacryloyl morpholine, 3-methyl-1-(morpholin-4-yl)but-2-en-1-one
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 5402-68-6 |
|---|---|
| SMILES | CC(=CC(=O)N1CCOCC1)C |
| InChIKey | LWMJXIOGNGBCNT-UHFFFAOYSA-N |
Product Overview
Morpholine, 4-(3-methyl-1-oxo-2-butenyl)- (CAS 5402-68-6), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: 3-methyl-1-morpholin-4-ylbut-2-en-1-one.
Chemical Property Profile of Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-
Property Insights of Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-. With a topological polar surface area (TPSA) of 29.5 Ų, Morpholine, 4-(3-methyl-1-oxo-2-butenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholine, 4-(3-methyl-1-oxo-2-butenyl)- has 0 hydrogen bond donor(s) and 2 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 Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-?
The CAS number of Morpholine, 4-(3-methyl-1-oxo-2-butenyl)- is 5402-68-6.
What is the molecular formula of Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-?
The molecular formula of Morpholine, 4-(3-methyl-1-oxo-2-butenyl)- is C9H15NO2.
What is the molecular weight of Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-?
The molecular weight of Morpholine, 4-(3-methyl-1-oxo-2-butenyl)- is 169.11 g/mol.
Where can I buy Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-?
You can request a quote for Morpholine, 4-(3-methyl-1-oxo-2-butenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morpholine, 4-(3-methyl-1-oxo-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Morpholine, 4-(3-methyl-1-oxo-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.