CAS RN: 1621256-23-2
Methyl 2,3-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250514 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250715 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250511 | 1g | Out of stock | Inquiry | ||
| Batchno.20260611 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250202 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1621256-23-2
- Purity/Analytical Methods: >99.0%
1621256-23-2 / methyl 2,3-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Basic Information
CAS
1621256-23-2
Multi CAS
No
Molecular Formula
C14H17BF2O4
Molecular Weight
298.090000
Exact Mass
298.118796
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)C(=O)OC)F)F
InChI
InChI=1S/C14H17BF2O4/c1-13(2)14(3,4)21-15(20-13)9-7-6-8(12(18)19-5)10(16)11(9)17/h6-7H,1-5H3
InChIKey
ZUOFHQYKSWBXAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
73.41
TPSA
44.76
LogP / Solubility
WLOGP
2.05
MLOGP
1.82
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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