CAS RN: 597553-98-5
9,10-Diphenylanthracene-2-boronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250915 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: ICTD4647
597553-98-5 / (9,10-diphenylanthracen-2-yl)boronic acid
Basic Information
CAS
597553-98-5
Multi CAS
No
Molecular Formula
BC26H19O2
Molecular Weight
374.200000
Exact Mass
374.147810
InChI
InChI=1S/C26H19BO2/c28-27(29)20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17,28-29H
InChIKey
MVUDLJXJTYSUGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
26
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
122.15
TPSA
40.46
LogP / Solubility
WLOGP
5.01
MLOGP
4.43
XLogP3
5.01
Consensus LogP
4.82
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble
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)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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