![CAS 1391922-09-0 B-[4-(9-phenyl-9H-fluoren-9-yl)phenyl]-Boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391922-09-0.gif)
CAS RN: 1391922-09-0
B-[4-(9-phenyl-9H-fluoren-9-yl)phenyl]-Boronic acid
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.20250709 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1391922-09-0
- Purity/Analytical Methods: >99.0%
1391922-09-0 / [4-(9-phenylfluoren-9-yl)phenyl]boronic acid
Basic Information
CAS
1391922-09-0
Multi CAS
No
Molecular Formula
C25H19BO2
Molecular Weight
362.200000
Exact Mass
362.147810
SMILES
B(C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)(O)O
InChI
InChI=1S/C25H19BO2/c27-26(28)20-16-14-19(15-17-20)25(18-8-2-1-3-9-18)23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-17,27-28H
InChIKey
OHHXJQALXCUYNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
113.57
TPSA
40.46
LogP / Solubility
WLOGP
3.73
MLOGP
3.3
XLogP3
3.73
Consensus LogP
3.59
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.28
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
3.5
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