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CAS 5117-13-5 N-METHACRYLOYLMORPHOLINE molecular structure lightbox
CAS RN: 5117-13-5

N-METHACRYLOYLMORPHOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS5117-13-5
  • Purity/Analytical Methods: >99.0%
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5117-13-5 / 2-methyl-1-morpholin-4-ylprop-2-en-1-one

Standard CAS: 5117-13-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5117-13-5
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/C8H13NO2/c1-7(2)8(10)9-3-5-11-6-4-9/h1,3-6H2,2H3
InChIKey
AKVUWTYSNLGBJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.21
TPSA
29.54

LogP / Solubility

WLOGP
0.42
MLOGP
0.37
XLogP3
0.3
Consensus LogP
0.36
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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