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CAS 1426414-00-7 methyl 2-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylate molecular structure lightbox
CAS RN: 1426414-00-7

methyl 2-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylate

  • Product code: SSC-053439
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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 1426414-00-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1426414-00-7 / methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

Standard CAS: 1426414-00-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426414-00-7
Multi CAS
No
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
SMILES
CC(C)(C)OC(=O)NC1CC1C(=O)OC
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7-5-6(7)8(12)14-4/h6-7H,5H2,1-4H3,(H,11,13)
InChIKey
JYDFYTQQOAHATE-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
53.28
TPSA
64.63

LogP / Solubility

WLOGP
1.07
MLOGP
0.95
XLogP3
1.5
Consensus LogP
1.17
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.27

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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