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CAS 163277-80-3 (2S,3R)-2-Acetamido-3-(tert-butoxy)butanoic acid molecular structure lightbox
CAS RN: 163277-80-3

(2S,3R)-2-Acetamido-3-(tert-butoxy)butanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250228 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-070938
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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: ＞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 163277-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

163277-80-3 / (2S,3R)-2-acetamido-3-[(2-methylpropan-2-yl)oxy]butanoic acid

Standard CAS: 163277-80-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163277-80-3
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)C)OC(C)(C)C
InChI
InChI=1S/C10H19NO4/c1-6(15-10(3,4)5)8(9(13)14)11-7(2)12/h6,8H,1-5H3,(H,11,12)(H,13,14)/t6-,8+/m1/s1
InChIKey
JTQQJUFULLOMEJ-SVRRBLITSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.54
TPSA
75.63

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
0.4
Consensus LogP
0.62
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-3.49

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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