1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one
TL;DR: 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one (CAS 66596-44-9) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-4-methyl-5-morpholin-4-ylpent-1-en-3-one
Also Known As: 1-4-methyl-5-morpholino-1-penten-3-one, 1-(3,4-methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 1.9659 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 563.7774 |
Chemical Identifiers
| CAS Number | 66596-44-9 |
|---|---|
| SMILES | CC(CN1CCOCC1)C(=O)C=CC2=CC3=C(C=C2)OCO3 |
Product Overview
1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one (CAS 66596-44-9), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-4-methyl-5-morpholin-4-ylpent-1-en-3-one.
Chemical Property Profile of 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one
Property Insights of 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one
The XLogP value of 1.9659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one. With a topological polar surface area (TPSA) of 48.0 Ų, 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one has 0 hydrogen bond donor(s) and 5 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-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one?
The CAS number of 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one is 66596-44-9.
What is the molecular formula of 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one?
The molecular formula of 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one is C17H21NO4.
What is the molecular weight of 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one?
The molecular weight of 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one is 303.15 g/mol.
Where can I buy 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one?
You can request a quote for 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Methylenedioxyphenyl)-4-methyl-5-morpholino-1-pentene-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.