1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol
TL;DR: 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol (CAS 66596-53-0) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylbut-3-en-2-ol
Also Known As: 4-1-morpholino-3-buten-2-ol, 1-(3,4-methylenedioxyphenyl)-4-morpholino-1-butene-3-ol
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 66596-53-0 |
|---|---|
| SMILES | C1COCCN1CC(C=CC2=CC3=C(C=C2)OCO3)O |
| InChIKey | TZXHQWBYPAYWEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol (CAS 66596-53-0), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylbut-3-en-2-ol.
Chemical Property Profile of 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol
Property Insights of 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol. With a topological polar surface area (TPSA) of 51.2 Ų, 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol has 1 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-morpholino-1-butene-3-ol?
The CAS number of 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol is 66596-53-0.
What is the molecular formula of 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol?
The molecular formula of 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol is C15H19NO4.
What is the molecular weight of 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol?
The molecular weight of 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol is 277.13 g/mol.
Where can I buy 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol?
You can request a quote for 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol 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-morpholino-1-butene-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Methylenedioxyphenyl)-4-morpholino-1-butene-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.