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CAS 35657-40-0 [(TERT-BUTOXY)CARBONYL]AMINO 2,2-DIMETHYLPROPANOATE molecular structure lightbox
CAS RN: 35657-40-0

[(TERT-BUTOXY)CARBONYL]AMINO 2,2-DIMETHYLPROPANOATE

  • Product code: SSC-142681
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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 35657-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

35657-40-0 / [(2-methylpropan-2-yl)oxycarbonylamino] 2,2-dimethylpropanoate

Standard CAS: 35657-40-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35657-40-0
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
InChI
InChI=1S/C10H19NO4/c1-9(2,3)7(12)15-11-8(13)14-10(4,5)6/h1-6H3,(H,11,13)
InChIKey
WYAROZBFQHEKEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.92
TPSA
64.63

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
2.4
Consensus LogP
2.07
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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