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CAS 957205-23-1 Benzenemethanol, 4-cyclohexyl-3-(trifluoromethyl)- molecular structure lightbox
CAS RN: 957205-23-1

Benzenemethanol, 4-cyclohexyl-3-(trifluoromethyl)-

  • Product code: SSC-211372
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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: ≥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 957205-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

957205-23-1 / [4-cyclohexyl-3-(trifluoromethyl)phenyl]methanol

Standard CAS: 957205-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
957205-23-1
Multi CAS
No
Molecular Formula
C14F3H17O
Molecular Weight
258.280000
Exact Mass
258.123150
InChI
InChI=1S/C14H17F3O/c15-14(16,17)13-8-10(9-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11,18H,1-5,9H2
InChIKey
XIRMFYAEMKQCRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.19
TPSA
20.23

LogP / Solubility

WLOGP
4.25
MLOGP
3.74
XLogP3
4.5
Consensus LogP
4.16
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-1.28

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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