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CAS 25456-86-4 L-Asparagine tert-butyl ester molecular structure lightbox
CAS RN: 25456-86-4

L-Asparagine tert-butyl ester

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260525 10g In stock Inquiry
Batchno.20260404 1g In stock Inquiry
Batchno.20250923 250mg Out of stock Inquiry
Batchno.20250811 25g In stock Inquiry
Batchno.20250319 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-121406
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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, 10g
  • 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 25456-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

25456-86-4 / tert-butyl 2,4-diamino-4-oxobutanoate

Standard CAS: 25456-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25456-86-4
Multi CAS
No
Molecular Formula
C8H16N2O3
Molecular Weight
188.220000
Exact Mass
188.116092
SMILES
CC(C)(C)OC(=O)C(CC(=O)N)N
InChI
InChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H2,10,11)/t5-/m0/s1
InChIKey
VLLGKVRQXXHELH-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.63
TPSA
95.41

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.41
XLogP3
-0.9
Consensus LogP
-0.59
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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