![CAS 2246556-84-1 tert-Butyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246556-84-1.gif)
CAS RN: 2246556-84-1
tert-Butyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
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.20250519 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-109730
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 | Beijing | Inquiry |
2246556-84-1 / tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
Basic Information
CAS
2246556-84-1
Multi CAS
No
Molecular Formula
C18H28BNO4S
Molecular Weight
365.300000
Exact Mass
365.183210
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)CCN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H28BNO4S/c1-16(2,3)22-15(21)20-9-8-13-12(11-20)10-14(25-13)19-23-17(4,5)18(6,7)24-19/h10H,8-9,11H2,1-7H3
InChIKey
PNURUDISZTVTLZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
5
Fraction Csp3
0.72
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
100.38
TPSA
48
LogP / Solubility
WLOGP
3.34
MLOGP
2.96
XLogP3
3.34
Consensus LogP
3.21
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58
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
2.5
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![CAS 2246638-38-8 1,3,2-Dioxaborolane, 2-[2-[(4-fluorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246638-38-8.gif)
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