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CAS 1202578-27-5 cis-4-(Trifluoromethyl)cyclohexanecarboxylic Acid molecular structure lightbox
CAS RN: 1202578-27-5

cis-4-(Trifluoromethyl)cyclohexanecarboxylic Acid

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250604 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250712 250mg In stock Shanghai Inquiry
Batchno.20250904 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260517 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-021109
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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 1202578-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1202578-27-5 / 4-(trifluoromethyl)cyclohexane-1-carboxylic acid

4-(Trifluoromethyl)cyclohexanecarboxylic Acid | cis-4-(Trifluoromethyl)cyclohexanecarboxylic Acid | 4-(trifluoromethyl)cyclohexane-1-carboxylic Acid

Standard CAS: 1202578-27-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1202578-27-5
Multi CAS
Yes
Molecular Formula
C8H11F3O2
Molecular Weight
196.170000
Exact Mass
196.071114
SMILES
C1CC(CCC1C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H11F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h5-6H,1-4H2,(H,12,13)
InChIKey
LMEAZIIFLVDISW-UHFFFAOYSA-N
Synonyms
4-(Trifluoromethyl)cyclohexanecarboxylic Acid cis-4-(Trifluoromethyl)cyclohexanecarboxylic Acid 4-(trifluoromethyl)cyclohexane-1-carboxylic Acid (1r,4r)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid DTXSID501254376

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.14
TPSA
37.3

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-2.18

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
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (89.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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