CAS RN: 1445601-61-5
5-ETHOXY-2,3-DIFLUOROPHENYLBORONIC ACID, PINACOL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250105 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1445601-61-5
- Purity/Analytical Methods: >99.0%
1445601-61-5 / 2-(5-ethoxy-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1445601-61-5
Multi CAS
No
Molecular Formula
C14H19BF2O3
Molecular Weight
284.110000
Exact Mass
284.139531
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)F)OCC
InChI
InChI=1S/C14H19BF2O3/c1-6-18-9-7-10(12(17)11(16)8-9)15-19-13(2,3)14(4,5)20-15/h7-8H,6H2,1-5H3
InChIKey
BFPQMUVGFZBCAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
73.24
TPSA
27.69
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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)
-2.56
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
1.5
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