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CAS 5854-78-4 O-tert-Butyl-L-threonine tert-Butyl Ester molecular structure lightbox
CAS RN: 5854-78-4

O-tert-Butyl-L-threonine tert-Butyl Ester

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 1g In stock Shanghai Inquiry
Batchno.20251230 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-166802
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 25g, 10g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5854-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 5 In Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

5854-78-4 / tert-butyl 2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate

Standard CAS: 5854-78-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5854-78-4
Multi CAS
Yes
Molecular Formula
C12H25NO3
Molecular Weight
231.330000
Exact Mass
231.183444
InChI
InChI=1S/C12H25NO3/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7/h8-9H,13H2,1-7H3
InChIKey
PPDIUNOGUIAFLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.12
TPSA
61.55

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.81

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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