![CAS 1813574-72-9 2-[4-(9,9-diphenyl-9H-fluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1813574-72-9.gif)
CAS RN: 1813574-72-9
2-[4-(9,9-diphenyl-9H-fluoren-2-yl)phenyl]-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.20250909 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1813574-72-9
- Purity/Analytical Methods: >99.0%
1813574-72-9 / 2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1813574-72-9
Multi CAS
No
Molecular Formula
C37H33BO2
Molecular Weight
520.500000
Exact Mass
520.257361
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5C4(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C37H33BO2/c1-35(2)36(3,4)40-38(39-35)30-22-19-26(20-23-30)27-21-24-32-31-17-11-12-18-33(31)37(34(32)25-27,28-13-7-5-8-14-28)29-15-9-6-10-16-29/h5-25H,1-4H3
InChIKey
OKSMKRLDLMRUET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
30
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
164.9
TPSA
18.46
LogP / Solubility
WLOGP
8.02
MLOGP
7.09
XLogP3
8.02
Consensus LogP
7.71
Log S (ESOL)
-8.41
Class (ESOL)
Insoluble
Log S (Ali)
-9.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.18
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)
-0.2
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
6
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