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CAS 1226776-84-6 Methyl N-Cbz-hoMoMorpholine-2-carboxylate molecular structure lightbox
CAS RN: 1226776-84-6

Methyl N-Cbz-hoMoMorpholine-2-carboxylate

  • Product code: SSC-025779
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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, 1g, 5g
  • 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 1226776-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1226776-84-6 / 4-O-benzyl 2-O-methyl 1,4-oxazepane-2,4-dicarboxylate

Standard CAS: 1226776-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1226776-84-6
Multi CAS
No
Molecular Formula
C15H19NO5
Molecular Weight
293.310000
Exact Mass
293.126323
SMILES
COC(=O)C1CN(CCCO1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO5/c1-19-14(17)13-10-16(8-5-9-20-13)15(18)21-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKey
FPWQZFRFYFDZAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
74.57
TPSA
65.07

LogP / Solubility

WLOGP
1.59
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.53
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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