![CAS 2057507-59-0 4H-Pyrrolo[1,2-b]pyrazole, 5,6-dihydro-5,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2057507-59-0.png)
CAS RN: 2057507-59-0
4H-Pyrrolo[1,2-b]pyrazole, 5,6-dihydro-5,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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.20250126 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-096920
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: 0.25g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
2057507-59-0 / 5,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,6-dihydropyrrolo[2,1-e]pyrazole
Basic Information
CAS
2057507-59-0
Multi CAS
No
Molecular Formula
C14H23BN2O2
Molecular Weight
262.160000
Exact Mass
262.185258
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CC(CN3N=C2)(C)C
InChI
InChI=1S/C14H23BN2O2/c1-12(2)7-11-10(8-16-17(11)9-12)15-18-13(3,4)14(5,6)19-15/h8H,7,9H2,1-6H3
InChIKey
JJAODUJOYOMWDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
75.43
TPSA
36.28
LogP / Solubility
WLOGP
1.76
MLOGP
1.56
XLogP3
1.76
Consensus LogP
1.69
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 2058052-40-5 1-(phenylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2058052-40-5.png)
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