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CAS 1951425-25-4 (2R,6S)-4-tert-butyl 2-Methyl 6-(hydroxyMethyl)Morpholine-2,4-dicarboxylate molecular structure lightbox
CAS RN: 1951425-25-4

(2R,6S)-4-tert-butyl 2-Methyl 6-(hydroxyMethyl)Morpholine-2,4-dicarboxylate

  • Product code: SSC-092025
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1951425-25-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1951425-25-4 / 4-O-tert-butyl 2-O-methyl (2R,6S)-6-(hydroxymethyl)morpholine-2,4-dicarboxylate

Standard CAS: 1951425-25-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1951425-25-4
Multi CAS
No
Molecular Formula
C12H21NO6
Molecular Weight
275.300000
Exact Mass
275.136887
SMILES
CC(C)(C)OC(=O)N1C[C@H](O[C@H](C1)C(=O)OC)CO
InChI
InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)13-5-8(7-14)18-9(6-13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKey
QLSZIUDKMLYFGR-DTWKUNHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
65.57
TPSA
85.3

LogP / Solubility

WLOGP
0.16
MLOGP
0.15
XLogP3
0.1
Consensus LogP
0.14
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.29

Drug-likeness / Medicinal Chemistry

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

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