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CAS 55332-37-1 (S)-2-(4-FLUOROPHENYL)-3-METHYLBUTYRIC ACID molecular structure lightbox
CAS RN: 55332-37-1

(S)-2-(4-FLUOROPHENYL)-3-METHYLBUTYRIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-163216
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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 55332-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

55332-37-1 / 2-(4-fluorophenyl)-3-methylbutanoic acid

Standard CAS: 55332-37-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55332-37-1
Multi CAS
Yes
Molecular Formula
C11FH13O2
Molecular Weight
196.220000
Exact Mass
196.089958
InChI
InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)/t10-/m0/s1
InChIKey
YBQLHBYGMUXCEW-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.61
TPSA
37.3

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.9
Consensus LogP
2.63
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.04

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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