CAS RN: 1858289-64-1
6-(1,1′-biphenyl-3-yl)dibenzothiophene-4-boronic acid pinacol ester
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.20250530 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-086049
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1858289-64-1 / 4,4,5,5-tetramethyl-2-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,2-dioxaborolane
Basic Information
CAS
1858289-64-1
Multi CAS
No
Molecular Formula
C30H27BO2S
Molecular Weight
462.400000
Exact Mass
462.182481
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C4=C(S3)C(=CC=C4)C5=CC=CC(=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H27BO2S/c1-29(2)30(3,4)33-31(32-29)26-18-10-17-25-24-16-9-15-23(27(24)34-28(25)26)22-14-8-13-21(19-22)20-11-6-5-7-12-20/h5-19H,1-4H3
InChIKey
YIQGVICVAGYGBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
25
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
145.92
TPSA
18.46
LogP / Solubility
WLOGP
7.69
MLOGP
6.8
XLogP3
7.69
Consensus LogP
7.39
Log S (ESOL)
-7.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.41
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)
-0.08
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
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