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CAS 1219020-59-3 DI-TERT-BUTYL 1-CYCLOPROPYLHYDRAZINE-1,2-DICARBOXYLATE molecular structure lightbox
CAS RN: 1219020-59-3

DI-TERT-BUTYL 1-CYCLOPROPYLHYDRAZINE-1,2-DICARBOXYLATE

  • Product code: SSC-024722
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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: 10g
  • Available purity: ＞97%
  • 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 1219020-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

1219020-59-3 / tert-butyl N-cyclopropyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Standard CAS: 1219020-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219020-59-3
Multi CAS
No
Molecular Formula
C13H24N2O4
Molecular Weight
272.340000
Exact Mass
272.173607
SMILES
CC(C)(C)OC(=O)NN(C1CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H24N2O4/c1-12(2,3)18-10(16)14-15(9-7-8-9)11(17)19-13(4,5)6/h9H,7-8H2,1-6H3,(H,14,16)
InChIKey
DDZCNVHWTVEKDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.46
TPSA
67.87

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.38

Drug-likeness / Medicinal Chemistry

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

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