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CAS 1599378-89-8 (2R,6S)-tert-butyl 2,6-dimethylmorpholine-4-carboxylate molecular structure lightbox
CAS RN: 1599378-89-8

(2R,6S)-tert-butyl 2,6-dimethylmorpholine-4-carboxylate

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250426 25g Out of stock Inquiry
Batchno.20250515 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260508 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1599378-89-8
  • Purity/Analytical Methods: >99.0%
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1599378-89-8 / tert-butyl (2R,6S)-2,6-dimethylmorpholine-4-carboxylate

Standard CAS: 1599378-89-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1599378-89-8
Multi CAS
No
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO3/c1-8-6-12(7-9(2)14-8)10(13)15-11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9+
InChIKey
UJDPADYLZZKMRV-DTORHVGOSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.82
TPSA
38.77

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.6
Consensus LogP
1.81
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.59

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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