![CAS 2231620-89-4 1,3,2-Dioxaborolane, 2-(10,10-dimethylspiro[anthracene-9(10H),9′-[9H]fluoren]-2′-yl)-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2231620-89-4.gif)
CAS RN: 2231620-89-4
1,3,2-Dioxaborolane, 2-(10,10-dimethylspiro[anthracene-9(10H),9′-[9H]fluoren]-2′-yl)-4,4,5,5-tetramethyl-
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.20250915 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2231620-89-4
- Purity/Analytical Methods: >99.0%
2231620-89-4 / 2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2231620-89-4
Multi CAS
No
Molecular Formula
C34H33BO2
Molecular Weight
484.400000
Exact Mass
484.257361
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=CC=CC=C4C35C6=CC=CC=C6C(C7=CC=CC=C57)(C)C
InChI
InChI=1S/C34H33BO2/c1-31(2)26-15-9-11-17-28(26)34(29-18-12-10-16-27(29)31)25-14-8-7-13-23(25)24-20-19-22(21-30(24)34)35-36-32(3,4)33(5,6)37-35/h7-21H,1-6H3
InChIKey
CDUNODBVILMAHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
151.59
TPSA
18.46
LogP / Solubility
WLOGP
6.99
MLOGP
6.18
XLogP3
6.99
Consensus LogP
6.72
Log S (ESOL)
-7.66
Class (ESOL)
Insoluble
Log S (Ali)
-8.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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