CAS RN: 912824-84-1
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophene
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250212 | 1g | Out of stock | Inquiry | |
| Batchno.20260325 | 200mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250328 | 250mg | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20250730 | 25g | In stock | Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250106 | 5g | In stock | Chengdu | Inquiry |
- Product code: SSC-204224
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
912824-84-1 / 2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
912824-84-1
Multi CAS
No
Molecular Formula
BC18H19O2S
Molecular Weight
310.200000
Exact Mass
310.119881
InChI
InChI=1S/C18H19BO2S/c1-17(2)18(3,4)21-19(20-17)14-10-7-9-13-12-8-5-6-11-15(12)22-16(13)14/h5-11H,1-4H3
InChIKey
XPRBSZLRNLZXNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
95.05
TPSA
18.46
LogP / Solubility
WLOGP
4.35
MLOGP
3.84
XLogP3
4.35
Consensus LogP
4.18
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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
No
Log Kp (skin permeation)
-1.52
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
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