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CAS 943344-44-3 (2S,6S)-2,6-Dimethylmorpholine (R)-2-hydroxy-2-phenylacetate molecular structure lightbox
CAS RN: 943344-44-3

(2S,6S)-2,6-Dimethylmorpholine (R)-2-hydroxy-2-phenylacetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250621 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS943344-44-3
  • Purity/Analytical Methods: >99.0%
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943344-44-3 / 2,6-dimethylmorpholine;2-hydroxy-2-phenylacetic acid

Standard CAS: 943344-44-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
943344-44-3
Multi CAS
Yes
Molecular Formula
C14H21NO4
Molecular Weight
267.320000
Exact Mass
267.147058
InChI
InChI=1S/C8H8O3.C6H13NO/c9-7(8(10)11)6-4-2-1-3-5-6;1-5-3-7-4-6(2)8-5/h1-5,7,9H,(H,10,11);5-7H,3-4H2,1-2H3
InChIKey
NALUPIVEBULWHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
71.92
TPSA
78.79

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.19
Consensus LogP
1.14
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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