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CAS 261763-21-7 5-CHLORO-2-(TRIFLUOROMETHYL)BENZYL ALCOHOL molecular structure lightbox
CAS RN: 261763-21-7

5-CHLORO-2-(TRIFLUOROMETHYL)BENZYL ALCOHOL

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250502 1g In stock Inquiry
Batchno.20250930 250mg In stock Inquiry
Batchno.20260422 25g In stock Inquiry
Batchno.20250523 5g In stock Inquiry
  • Product code: SSC-123226
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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 261763-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

261763-21-7 / [5-chloro-2-(trifluoromethyl)phenyl]methanol

Standard CAS: 261763-21-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261763-21-7
Multi CAS
No
Molecular Formula
C8H6ClF3O
Molecular Weight
210.580000
Exact Mass
210.005927
SMILES
C1=CC(=C(C=C1Cl)CO)C(F)(F)F
InChI
InChI=1S/C8H6ClF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3,13H,4H2
InChIKey
LUMJBVGPYBBQAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.38
TPSA
20.23

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
2.5
Consensus LogP
2.62
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-1.98

Drug-likeness / Medicinal Chemistry

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

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