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CAS 50823-90-0 3-(Trifluoromethoxy)benzyl Alcohol molecular structure lightbox
CAS RN: 50823-90-0

3-(Trifluoromethoxy)benzyl Alcohol

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250417 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251205 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20250412 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260610 5g In stock Shanghai Inquiry
  • Product code: SSC-157569
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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: ≥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 50823-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

50823-90-0 / [3-(trifluoromethoxy)phenyl]methanol

Standard CAS: 50823-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50823-90-0
Multi CAS
No
Molecular Formula
C8F3H7O2
Molecular Weight
192.130000
Exact Mass
192.039814
InChI
InChI=1S/C8H7F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
InChIKey
XRGSSROOYSFMMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.05
TPSA
29.46

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
2.4
Consensus LogP
2.1
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-2.42

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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