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CAS 266353-22-4 ethyl 3-(tert-butoxycarbonyl(2-cyanoethyl)aMino)propanoate molecular structure lightbox
CAS RN: 266353-22-4

ethyl 3-(tert-butoxycarbonyl(2-cyanoethyl)aMino)propanoate

  • Product code: SSC-124688
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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 266353-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

266353-22-4 / ethyl 3-[2-cyanoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

Standard CAS: 266353-22-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
266353-22-4
Multi CAS
Yes
Molecular Formula
C13H22N2O4
Molecular Weight
270.320000
Exact Mass
270.157957
InChI
InChI=1S/C13H22N2O4/c1-5-18-11(16)7-10-15(9-6-8-14)12(17)19-13(2,3)4/h5-7,9-10H2,1-4H3
InChIKey
PFLUMIJVNZJWQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
69.29
TPSA
79.63

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
1
Consensus LogP
1.65
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

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

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