CAS RN: 736987-78-3
E-2-(2 4-DIFLUOROPHENYL)VINYLBORONIC AC&
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.20250412 | 250mg / 1g / 5g / 25g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS736987-78-3
- Purity/Analytical Methods: >99.0%
736987-78-3 / 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
736987-78-3
Multi CAS
Yes
Molecular Formula
BC14F2H17O2
Molecular Weight
266.090000
Exact Mass
266.128966
InChI
InChI=1S/C14H17BF2O2/c1-13(2)14(3,4)19-15(18-13)8-7-10-5-6-11(16)9-12(10)17/h5-9H,1-4H3/b8-7+
InChIKey
BMZXZTQQERUFEM-BQYQJAHWSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.47
TPSA
18.46
LogP / Solubility
WLOGP
3.61
MLOGP
3.18
XLogP3
3.61
Consensus LogP
3.47
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
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)
-1.78
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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