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CAS RN: 1417036-28-2
3-Methoxy-4-methylphenylboronic acid, pinacol ester
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260116 | 1g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20250724 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260624 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260616 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250922 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS1417036-28-2
- Purity/Analytical Methods: >99.0%
1417036-28-2 / 2-(3-methoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1417036-28-2
Multi CAS
No
Molecular Formula
C14H21BO3
Molecular Weight
248.130000
Exact Mass
248.158375
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C)OC
InChI
InChI=1S/C14H21BO3/c1-10-7-8-11(9-12(10)16-6)15-17-13(2,3)14(4,5)18-15/h7-9H,1-6H3
InChIKey
JPMHBFLCTSQWPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
73.45
TPSA
27.69
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.6
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
1.5
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