CAS RN: 459409-74-6
2-PHENYLTHIOPHENE-5-BORONIC ACID PINACOL ESTER
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250104 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251024 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250629 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250502 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260131 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-153531
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 | Beijing | Inquiry |
459409-74-6 / 4,4,5,5-tetramethyl-2-(5-phenylthiophen-2-yl)-1,3,2-dioxaborolane
Basic Information
CAS
459409-74-6
Multi CAS
No
Molecular Formula
BC16H19O2S
Molecular Weight
286.200000
Exact Mass
286.119881
InChI
InChI=1S/C16H19BO2S/c1-15(2)16(3,4)19-17(18-15)14-11-10-13(20-14)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey
BOTJOCNWKJVWRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
85.47
TPSA
18.46
LogP / Solubility
WLOGP
3.71
MLOGP
3.28
XLogP3
3.71
Consensus LogP
3.57
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
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
1.5
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