CAS RN: 1447669-03-5
2,2′-((2,2-diphenylethene-1,1-diyl)bis(4,1-phenylene))bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
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.20250508 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1447669-03-5
- Purity/Analytical Methods: >99.0%
1447669-03-5 / 2-[4-[2,2-diphenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1447669-03-5
Multi CAS
No
Molecular Formula
C38H42B2O4
Molecular Weight
584.400000
Exact Mass
584.326920
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)B6OC(C(O6)(C)C)(C)C
InChI
InChI=1S/C38H42B2O4/c1-35(2)36(3,4)42-39(41-35)31-23-19-29(20-24-31)34(33(27-15-11-9-12-16-27)28-17-13-10-14-18-28)30-21-25-32(26-22-30)40-43-37(5,6)38(7,8)44-40/h9-26H,1-8H3
InChIKey
SIBUCPJWEIWPQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
24
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
182.22
TPSA
36.92
LogP / Solubility
WLOGP
7.29
MLOGP
6.46
XLogP3
7.29
Consensus LogP
7.01
Log S (ESOL)
-8.06
Class (ESOL)
Insoluble
Log S (Ali)
-9.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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