CAS RN: 683242-93-5
4-TRIFLUOROMETHYLCYCLOHEX-1-ENYL-1-BORONIC ACID PINACOL ESTER
- Product code: SSC-178082
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, 0.1g, 0.25g, 25g, 5g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
683242-93-5 / 4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
Basic Information
CAS
683242-93-5
Multi CAS
Yes
Molecular Formula
BC13F3H20O2
Molecular Weight
276.100000
Exact Mass
276.150845
InChI
InChI=1S/C13H20BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-9(6-8-10)13(15,16)17/h7,9H,5-6,8H2,1-4H3
InChIKey
WZIGWZGLMLDGKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
67.56
TPSA
18.46
LogP / Solubility
WLOGP
3.91
MLOGP
3.45
XLogP3
3.91
Consensus LogP
3.76
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
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)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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