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CAS 1260803-93-7 4-(4-Acetylphenyl)Morpholin-3-One molecular structure lightbox
CAS RN: 1260803-93-7

4-(4-Acetylphenyl)Morpholin-3-One

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1260803-93-7
  • Purity/Analytical Methods: >99.0%
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1260803-93-7 / 4-(4-acetylphenyl)morpholin-3-one

Standard CAS: 1260803-93-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260803-93-7
Multi CAS
No
Molecular Formula
C12H13NO3
Molecular Weight
219.240000
Exact Mass
219.089543
SMILES
CC(=O)C1=CC=C(C=C1)N2CCOCC2=O
InChI
InChI=1S/C12H13NO3/c1-9(14)10-2-4-11(5-3-10)13-6-7-16-8-12(13)15/h2-5H,6-8H2,1H3
InChIKey
JFLUIUFXYBZLCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.62
TPSA
46.61

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
0.6
Consensus LogP
0.98
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-3.17

Drug-likeness / Medicinal Chemistry

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

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