CAS RN: 1295502-63-4
4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-difluoro-2,1,3-benzothiadiazole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250222 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250828 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250926 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250508 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250405 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-036514
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 |
1295502-63-4 / 5,6-difluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
Basic Information
CAS
1295502-63-4
Multi CAS
No
Molecular Formula
C18H24B2F2N2O4S
Molecular Weight
424.100000
Exact Mass
424.161095
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C3=NSN=C23)B4OC(C(O4)(C)C)(C)C)F)F
InChI
InChI=1S/C18H24B2F2N2O4S/c1-15(2)16(3,4)26-19(25-15)9-11(21)12(22)10(14-13(9)23-29-24-14)20-27-17(5,6)18(7,8)28-20/h1-8H3
InChIKey
UFEWAOLQODIZHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
108.76
TPSA
62.7
LogP / Solubility
WLOGP
2.57
MLOGP
2.29
XLogP3
2.57
Consensus LogP
2.48
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.48
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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