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CAS 64241-77-6 3-Fluoro-2,2-dimethyl-propionic acid molecular structure lightbox
CAS RN: 64241-77-6

3-Fluoro-2,2-dimethyl-propionic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251205 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250118 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250604 5g In stock Shanghai Inquiry
  • Product code: SSC-174013
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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 64241-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

64241-77-6 / 3-fluoro-2,2-dimethylpropanoic acid

Standard CAS: 64241-77-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64241-77-6
Multi CAS
No
Molecular Formula
C5FH9O2
Molecular Weight
120.120000
Exact Mass
120.058658
InChI
InChI=1S/C5H9FO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)
InChIKey
CKRJGDYKYQUNIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.39
TPSA
37.3

LogP / Solubility

WLOGP
1.07
MLOGP
0.93
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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