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CAS 5854-77-3 O,O’-di-tert-butyl-L-threonine acetate molecular structure lightbox
CAS RN: 5854-77-3

O,O’-di-tert-butyl-L-threonine acetate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250124 5g In stock Shanghai Inquiry
  • Product code: SSC-166801
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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
  • 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 5854-77-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

5854-77-3 / acetic acid;tert-butyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate

Standard CAS: 5854-77-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5854-77-3
Multi CAS
Yes
Molecular Formula
C14H29NO5
Molecular Weight
291.380000
Exact Mass
291.204573
InChI
InChI=1S/C12H25NO3.C2H4O2/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7;1-2(3)4/h8-9H,13H2,1-7H3;1H3,(H,3,4)/t8-,9+;/m1./s1
InChIKey
BGAUVMFJRASONL-RJUBDTSPSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.43
TPSA
98.85

LogP / Solubility

WLOGP
1.95
MLOGP
1.73
XLogP3
1.95
Consensus LogP
1.88
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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