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CAS 146432-43-1 DI-TERT-BUTYL-2-BROMOETHYLIMINODIACETATE molecular structure lightbox
CAS RN: 146432-43-1

DI-TERT-BUTYL-2-BROMOETHYLIMINODIACETATE

  • Product code: SSC-057474
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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 146432-43-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

146432-43-1 / tert-butyl 2-[2-bromoethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

Standard CAS: 146432-43-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146432-43-1
Multi CAS
No
Molecular Formula
C14H26BrNO4
Molecular Weight
352.260000
Exact Mass
351.104520
SMILES
CC(C)(C)OC(=O)CN(CCBr)CC(=O)OC(C)(C)C
InChI
InChI=1S/C14H26BrNO4/c1-13(2,3)19-11(17)9-16(8-7-15)10-12(18)20-14(4,5)6/h7-10H2,1-6H3
InChIKey
WCEPRISXWGVUQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
81.92
TPSA
55.84

LogP / Solubility

WLOGP
2.37
MLOGP
2.1
XLogP3
2.8
Consensus LogP
2.42
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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