CAS RN: 960388-56-1
3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251102 | 100mg | In stock | Tianjin | Inquiry | |
| Batchno.20250526 | 100mg / 250mg / 1g / 5g | Out of stock | 3-5 business days | Inquiry | |
| Batchno.20250706 | 1g | In stock | Tianjin | Inquiry | |
| Batchno.20250222 | 250mg | In stock | Tianjin | Inquiry | |
| Batchno.20250523 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS960388-56-1
- Purity/Analytical Methods: >99.0%
960388-56-1 / 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Basic Information
CAS
960388-56-1
Multi CAS
Yes
Molecular Formula
C12H16BCLO3
Molecular Weight
254.520000
Exact Mass
254.088102
InChI
InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)8-5-9(14)7-10(15)6-8/h5-7,15H,1-4H3
InChIKey
MJTRKHGZBSKPKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.83
TPSA
38.69
LogP / Solubility
WLOGP
2.34
MLOGP
2.07
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.61
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
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