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CAS 1821768-89-1 (R)-4-Boc-3-((R)-1-hydroxyethyl)morpholine molecular structure lightbox
CAS RN: 1821768-89-1

(R)-4-Boc-3-((R)-1-hydroxyethyl)morpholine

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 100mg Out of stock Inquiry
Batchno.20251101 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20250128 1g Out of stock Inquiry
Batchno.20250327 250mg Out of stock Inquiry
  • Product code: starshine_CAS1821768-89-1
  • Purity/Analytical Methods: >99.0%
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1821768-89-1 / tert-butyl (3R)-3-[(1R)-1-hydroxyethyl]morpholine-4-carboxylate

Standard CAS: 1821768-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1821768-89-1
Multi CAS
No
Molecular Formula
C11H21NO4
Molecular Weight
231.290000
Exact Mass
231.147058
SMILES
C[C@H]([C@H]1COCCN1C(=O)OC(C)(C)C)O
InChI
InChI=1S/C11H21NO4/c1-8(13)9-7-15-6-5-12(9)10(14)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKey
QEHPTNBZJUDZGO-RKDXNWHRSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.23
TPSA
59

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
0.6
Consensus LogP
0.83
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-3.42

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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