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CAS 1821773-67-4 ((2R,6R)-4-benzyl-6-MethylMorpholin-2-yl)Methanol molecular structure lightbox
CAS RN: 1821773-67-4

((2R,6R)-4-benzyl-6-MethylMorpholin-2-yl)Methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250921 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1821773-67-4
  • Purity/Analytical Methods: >99.0%
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1821773-67-4 / [(2R,6R)-4-benzyl-6-methylmorpholin-2-yl]methanol

Standard CAS: 1821773-67-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1821773-67-4
Multi CAS
No
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
SMILES
C[C@@H]1CN(C[C@@H](O1)CO)CC2=CC=CC=C2
InChI
InChI=1S/C13H19NO2/c1-11-7-14(9-13(10-15)16-11)8-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m1/s1
InChIKey
VGPHTTKTZQGSHW-DGCLKSJQSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.14
TPSA
32.7

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.2
Consensus LogP
1.2
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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
2.5

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