![CAS 214360-65-3 4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3103-jpgcontextbwfzdgvyfhjvb3r8mzi1ntb8aw1hz2uvanblz3xomjivadlhlzg5mzi2njawmtkymzavvdmxmdmuanbnfgnkyjdlm2ixmde4ywriody0odbimjzhntyymjfmogrhzta5mgrmngy1m2q5y2i1mtfhmdaynjbinwu4ztcwmwi.jpeg)
CAS RN: 214360-65-3
4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
- Product code: SSC-102779
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: 25g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
214360-65-3 / 4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
Basic Information
CAS
214360-65-3
Multi CAS
No
Molecular Formula
C13H16BF3O2
Molecular Weight
272.070000
Exact Mass
272.119544
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C13H16BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-9(6-8-10)13(15,16)17/h5-8H,1-4H3
InChIKey
GCQADNWXVSTJQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
67.16
TPSA
18.46
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 87100-28-5
- Product Code: SSC-196645
-
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- CAS RN: 847818-74-0
- Product Code: SSC-192394
-
9-([1,1′-Biphenyl]-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
- CAS RN: 1533406-38-0
- Product Code: SSC-062818
-
2-(2-Cyanophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
- CAS RN: 214360-47-1
- Product Code: SSC-102771
-
Ethyl 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
- CAS RN: 346656-34-6
- Product Code: SSC-141228
-
4′-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide
- CAS RN: 214360-60-8
- Product Code: SSC-102777
![CAS 1533406-38-0 9-([1,1′-Biphenyl]-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5054-jpgcontextbwfzdgvyfhjvb3r8nda0odr8aw1hz2uvanblz3xom2evagy4lzg5mjkxntazmdqyodyvqjuwntquanbnfgrmmdiznzczywrkyjqwzmmzmzrizwm0ntzhmja5mdfmzgjjzdzmzti3m2iwztrintrlnwe0yte3mtflntayn2i.jpeg)
