CAS RN: 1415334-59-6
10-(1,1′:3′,1”-Terphenyl-5′-yl)anthracene-9-boronic Acid (contains varying amounts of Anhydride)
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.20250208 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-051862
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
1415334-59-6 / [10-(3,5-diphenylphenyl)anthracen-9-yl]boronic acid
Basic Information
CAS
1415334-59-6
Multi CAS
No
Molecular Formula
C32H23BO2
Molecular Weight
450.300000
Exact Mass
450.179110
SMILES
B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC(=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)(O)O
InChI
InChI=1S/C32H23BO2/c34-33(35)32-29-17-9-7-15-27(29)31(28-16-8-10-18-30(28)32)26-20-24(22-11-3-1-4-12-22)19-25(21-26)23-13-5-2-6-14-23/h1-21,34-35H
InChIKey
NQOSAYPSOKFYBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
32
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
147.59
TPSA
40.46
LogP / Solubility
WLOGP
6.67
MLOGP
5.9
XLogP3
6.67
Consensus LogP
6.41
Log S (ESOL)
-7.25
Class (ESOL)
Insoluble
Log S (Ali)
-8.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.61
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)
-0.73
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
4
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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