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CAS 161105-54-0 TERT-BUTYL (3S)-3-AMINOBUTANOATE molecular structure lightbox
CAS RN: 161105-54-0

TERT-BUTYL (3S)-3-AMINOBUTANOATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250831 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-068848
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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 161105-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

161105-54-0 / tert-butyl (3S)-3-aminobutanoate

Standard CAS: 161105-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161105-54-0
Multi CAS
No
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
SMILES
C[C@@H](CC(=O)OC(C)(C)C)N
InChI
InChI=1S/C8H17NO2/c1-6(9)5-7(10)11-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m0/s1
InChIKey
BFFNZGWJTHWUMY-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.11
TPSA
52.32

LogP / Solubility

WLOGP
1.07
MLOGP
0.93
XLogP3
0.5
Consensus LogP
0.83
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-2.93

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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