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CAS 338-03-4 3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID molecular structure lightbox
CAS RN: 338-03-4

3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-139954
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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: ≥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 338-03-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

338-03-4 / 4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid

Standard CAS: 338-03-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
338-03-4
Multi CAS
Yes
Molecular Formula
C5F3H7O3
Molecular Weight
172.100000
Exact Mass
172.034729
InChI
InChI=1S/C5H7F3O3/c1-4(11,2-3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)
InChIKey
JCJGOWYCFRASTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.93
TPSA
57.53

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
0.4
Consensus LogP
0.62
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.22

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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