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CAS 4026-20-4 2-hydroxy-3,3-dimethylbutyric acid molecular structure lightbox
CAS RN: 4026-20-4

2-hydroxy-3,3-dimethylbutyric acid

  • Product code: SSC-148349
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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 4026-20-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

4026-20-4 / 2-hydroxy-3,3-dimethylbutanoic acid

Standard CAS: 4026-20-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4026-20-4
Multi CAS
No
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
InChI
InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)
InChIKey
FWVNWTNCNWRCOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.1
TPSA
57.53

LogP / Solubility

WLOGP
0.48
MLOGP
0.41
XLogP3
0.9
Consensus LogP
0.6
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.19

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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