CAS RN: 2304634-84-0
N,N,3-trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-sulfonamide
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.20260607 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-111920
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 | Hong Kong | Inquiry |
2304634-84-0 / N,N,3-trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-sulfonamide
Basic Information
CAS
2304634-84-0
Multi CAS
No
Molecular Formula
C12H22BN3O4S
Molecular Weight
315.200000
Exact Mass
315.142408
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2S(=O)(=O)N(C)C)C
InChI
InChI=1S/C12H22BN3O4S/c1-9-8-10(16(14-9)21(17,18)15(6)7)13-19-11(2,3)12(4,5)20-13/h8H,1-7H3
InChIKey
BXCBYNXCFWDEIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
80.68
TPSA
73.66
LogP / Solubility
WLOGP
0.15
MLOGP
0.14
XLogP3
0.15
Consensus LogP
0.15
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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