![CAS 335233-26-6 4,4,5,5-Tetramethyl-2-(2′-methyl-biphenyl-4-yl)-[1,3,2]dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/335233-26-6.gif)
CAS RN: 335233-26-6
4,4,5,5-Tetramethyl-2-(2′-methyl-biphenyl-4-yl)-[1,3,2]dioxaborolane
- Product code: SSC-139638
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
335233-26-6 / 4,4,5,5-tetramethyl-2-[4-(2-methylphenyl)phenyl]-1,3,2-dioxaborolane
Basic Information
CAS
335233-26-6
Multi CAS
No
Molecular Formula
BC19H23O2
Molecular Weight
294.200000
Exact Mass
294.179110
InChI
InChI=1S/C19H23BO2/c1-14-8-6-7-9-17(14)15-10-12-16(13-11-15)20-21-18(2,3)19(4,5)22-20/h6-13H,1-5H3
InChIKey
SPXVYDOHHUFETC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
92.33
TPSA
18.46
LogP / Solubility
WLOGP
3.96
MLOGP
3.5
XLogP3
3.96
Consensus LogP
3.81
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
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
2.5
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