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CAS 206996-51-2 TERT-BUTYL (R)-(+)-2-HYDROXYBUTYRATE molecular structure lightbox
CAS RN: 206996-51-2

TERT-BUTYL (R)-(+)-2-HYDROXYBUTYRATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-097459
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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 206996-51-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

206996-51-2 / tert-butyl (2R)-2-hydroxybutanoate

Standard CAS: 206996-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206996-51-2
Multi CAS
No
Molecular Formula
C8H16O3
Molecular Weight
160.210000
Exact Mass
160.109944
SMILES
CC[C@H](C(=O)OC(C)(C)C)O
InChI
InChI=1S/C8H16O3/c1-5-6(9)7(10)11-8(2,3)4/h6,9H,5H2,1-4H3/t6-/m1/s1
InChIKey
UPRLOYNUXQZAPJ-ZCFIWIBFSA-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
42.14
TPSA
46.53

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
1.4
Consensus LogP
1.15
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.92

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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