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CAS 1360364-21-1 tert-butyl octahydropyrrolo[3,4-b]morpholine-6-carboxylate molecular structure lightbox
CAS RN: 1360364-21-1

tert-butyl octahydropyrrolo[3,4-b]morpholine-6-carboxylate

  • Product code: SSC-044658
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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: 1g
  • 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 1360364-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1360364-21-1 / tert-butyl 3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate

Standard CAS: 1360364-21-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1360364-21-1
Multi CAS
No
Molecular Formula
C11H20N2O3
Molecular Weight
228.290000
Exact Mass
228.147393
SMILES
CC(C)(C)OC(=O)N1CC2C(C1)OCCN2
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-6-8-9(7-13)15-5-4-12-8/h8-9,12H,4-7H2,1-3H3
InChIKey
AUXXIKSVHUSTOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.34
TPSA
50.8

LogP / Solubility

WLOGP
0.59
MLOGP
0.53
XLogP3
0.2
Consensus LogP
0.44
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-3.69

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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