CAS RN: 5487-93-4
4,4′-Bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)biphenyl
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250412 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260320 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250210 | 25g | In stock | Shenzhen | Inquiry |
| Batchno.20260615 | 5g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: ICTB3151
- Purity/Analytical Methods: >98.0%(GC)(T)
5487-93-4 / 2-[4-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]phenyl]-5,5-dimethyl-1,3,2-dioxaborinane
Basic Information
CAS
5487-93-4
Multi CAS
No
Molecular Formula
B2C22H28O4
Molecular Weight
378.100000
Exact Mass
378.217370
InChI
InChI=1S/C22H28B2O4/c1-21(2)13-25-23(26-14-21)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-27-15-22(3,4)16-28-24/h5-12H,13-16H2,1-4H3
InChIKey
NJXUWONHNYJPMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
114.02
TPSA
36.92
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
2.89
Consensus LogP
2.78
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 69807-91-6 2-[3,5-Bis(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5095-jpgcontextbwfzdgvyfhjvb3r8mzgwmtv8aw1hz2uvanblz3xon2evadfklzg5mjkxnti1mzi1mtavqjuwotuuanbnfdkwotvkndizm2e3zmi0mze0nmyzndq4yjg5zjliody2nwyzywnlzmrmyjvlmwe1ngnmndhknta4zgy0otezztc.jpeg)
