CAS RN: 2246825-67-0
2-(2-Chloro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260222 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20260329 | 1g | In stock | Tianjin | Inquiry |
| Batchno.20250329 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251201 | 25g | Out of stock | Inquiry | |
| Batchno.20251113 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS2246825-67-0
- Purity/Analytical Methods: >99.0%
2246825-67-0 / 2-(2-chloro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2246825-67-0
Multi CAS
No
Molecular Formula
C13H18BClO2
Molecular Weight
252.550000
Exact Mass
252.108838
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C)Cl
InChI
InChI=1S/C13H18BClO2/c1-9-6-7-11(15)10(8-9)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3
InChIKey
XONBUNTVWKJWBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
71.91
TPSA
18.46
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
2.95
Consensus LogP
2.83
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.17
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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