CAS RN: 1359868-31-7
(E)-Ethyl 3-(4-Morpholinophenyl)Acrylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251213 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1359868-31-7
- Purity/Analytical Methods: >99.0%
1359868-31-7 / ethyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
Basic Information
CAS
1359868-31-7
Multi CAS
No
Molecular Formula
C15H19NO3
Molecular Weight
261.320000
Exact Mass
261.136493
SMILES
CCOC(=O)/C=C/C1=CC=C(C=C1)N2CCOCC2
InChI
InChI=1S/C15H19NO3/c1-2-19-15(17)8-5-13-3-6-14(7-4-13)16-9-11-18-12-10-16/h3-8H,2,9-12H2,1H3/b8-5+
InChIKey
YSUZMYKKXLWLOA-VMPITWQZSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
75.14
TPSA
38.77
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
2.3
Consensus LogP
2.08
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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