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CAS 1202577-61-4 trans-(4-(trifluoromethyl)cyclohexyl)methanol molecular structure lightbox
CAS RN: 1202577-61-4

trans-(4-(trifluoromethyl)cyclohexyl)methanol

  • Product code: SSC-021106
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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: ＞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 1202577-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1202577-61-4 / [4-(trifluoromethyl)cyclohexyl]methanol

[4-(trifluoromethyl)cyclohexyl]methanol | 4-(Trifluoromethyl)cyclohexanemethanol | (4-(Trifluoromethyl)cyclohexyl)methanol

Standard CAS: 1202577-61-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1202577-61-4
Multi CAS
Yes
Molecular Formula
C8H13F3O
Molecular Weight
182.180000
Exact Mass
182.091850
SMILES
C1CC(CCC1CO)C(F)(F)F
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
Synonyms
[4-(trifluoromethyl)cyclohexyl]methanol 4-(Trifluoromethyl)cyclohexanemethanol (4-(Trifluoromethyl)cyclohexyl)methanol DTXSID40657936 RefChem:550997

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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