1-(4-Morpholinyl)-4-phenyl-1,4-butanedione
TL;DR: 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione (CAS 6045-93-8) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-4-phenylbutane-1,4-dione
Also Known As: 4-(3-Benzoylpropionyl)morpholine, Morpholine, 4-(3-benzoylpropionyl)-, Morpholine, 4-(1,4-dioxo-4-phenylbutyl)-, N-Morpholinyl-beta-benzoyl-propionamide, 1-Morpholino-4-phenyl-1,4-butanedione
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 6045-93-8 |
|---|---|
| SMILES | C1COCCN1C(=O)CCC(=O)C2=CC=CC=C2 |
| InChIKey | NKHOEIIMKOSLOM-UHFFFAOYSA-N |
Product Overview
1-(4-Morpholinyl)-4-phenyl-1,4-butanedione (CAS 6045-93-8), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 1-morpholin-4-yl-4-phenylbutane-1,4-dione.
Chemical Property Profile of 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione
Property Insights of 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione. With a topological polar surface area (TPSA) of 46.6 Ų, 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione 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-(4-Morpholinyl)-4-phenyl-1,4-butanedione?
The CAS number of 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione is 6045-93-8.
What is the molecular formula of 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione?
The molecular formula of 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione is C14H17NO3.
What is the molecular weight of 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione?
The molecular weight of 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione is 247.12 g/mol.
Where can I buy 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione?
You can request a quote for 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Morpholinyl)-4-phenyl-1,4-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.