CAS RN: 883731-58-6
4-(Trifluoromethyl)cyclohexanemethanol (cis- and trans- mixture)
- Product code: SSC-198976
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: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
883731-58-6 / [4-(trifluoromethyl)cyclohexyl]methanol
Basic Information
CAS
883731-58-6
Multi CAS
No
Molecular Formula
C8F3H13O
Molecular Weight
182.180000
Exact Mass
182.091850
InChI
InChI=1S/C8H13F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7,12H,1-5H2
InChIKey
DYUAPKHFRXRMTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.59
TPSA
20.23
LogP / Solubility
WLOGP
2.35
MLOGP
2.06
XLogP3
2.4
Consensus LogP
2.27
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.16
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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- CAS RN: 30129-18-1
- Product Code: SSC-133811
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