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CAS 585532-19-0 Bicyclo[1.1.1]pentan-1-ol, 3-(trifluoromethyl)- (9CI) molecular structure lightbox
CAS RN: 585532-19-0

Bicyclo[1.1.1]pentan-1-ol, 3-(trifluoromethyl)- (9CI)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251116 100mg In stock Shanghai Inquiry
Batchno.20251130 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250413 250mg In stock Shanghai Inquiry
  • Product code: SSC-166817
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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: 0.1g, 0.25g, 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 585532-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

585532-19-0 / 3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-ol

Standard CAS: 585532-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
585532-19-0
Multi CAS
No
Molecular Formula
C6F3H7O
Molecular Weight
152.110000
Exact Mass
152.044899
InChI
InChI=1S/C6H7F3O/c7-6(8,9)4-1-5(10,2-4)3-4/h10H,1-3H2
InChIKey
BVZRNAJOJZWRKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.29
TPSA
20.23

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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