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CAS 42492-57-9 Methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate molecular structure lightbox
CAS RN: 42492-57-9

Methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

  • Product code: SSC-150789
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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: 25g
  • 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 42492-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

42492-57-9 / methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

Standard CAS: 42492-57-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42492-57-9
Multi CAS
Yes
Molecular Formula
C9H17NO4
Molecular Weight
203.240000
Exact Mass
203.115758
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10(4)6-7(11)13-5/h6H2,1-5H3
InChIKey
LTBDTYJYKRLTRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
50.88
TPSA
55.84

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-3.23

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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