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CAS 1350769-48-0 (2S,6S)-2-methyl-6-phenylmorpholine molecular structure lightbox
CAS RN: 1350769-48-0

(2S,6S)-2-methyl-6-phenylmorpholine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260427 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1350769-48-0
  • Purity/Analytical Methods: >99.0%
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1350769-48-0 / (2S,6S)-2-methyl-6-phenylmorpholine

Standard CAS: 1350769-48-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1350769-48-0
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
C[C@H]1CNC[C@@H](O1)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c1-9-7-12-8-11(13-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+/m0/s1
InChIKey
OEIVXYYFUJADLC-GXSJLCMTSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.6
TPSA
21.26

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
1.4
Consensus LogP
1.55
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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