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CAS 225920-05-8 (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol molecular structure lightbox
CAS RN: 225920-05-8

(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250315 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250813 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-110390
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 225920-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
25g ≥98% 3 In Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

225920-05-8 / 1-[3,5-bis(trifluoromethyl)phenyl]ethanol

Standard CAS: 225920-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
225920-05-8
Multi CAS
No
Molecular Formula
C10H8F6O
Molecular Weight
258.160000
Exact Mass
258.047934
SMILES
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3
InChIKey
MMSCIQKQJVBPIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.08
TPSA
20.23

LogP / Solubility

WLOGP
3.78
MLOGP
3.33
XLogP3
3.2
Consensus LogP
3.44
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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