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CAS 66494-26-6 Methyl 1-(tert-butoxycarbonylaMino)cyclopropanecarboxylate molecular structure lightbox
CAS RN: 66494-26-6

Methyl 1-(tert-butoxycarbonylaMino)cyclopropanecarboxylate

  • Product code: SSC-176183
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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: 5g
  • 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 66494-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

66494-26-6 / methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

Standard CAS: 66494-26-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66494-26-6
Multi CAS
Yes
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
InChI
InChI=1S/C10H17NO4/c1-9(2,3)15-8(13)11-10(5-6-10)7(12)14-4/h5-6H2,1-4H3,(H,11,13)
InChIKey
ACXGDYTVQAXJHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.35
TPSA
64.63

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately 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)
-3.17

Drug-likeness / Medicinal Chemistry

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

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