CAS RN: 2123477-78-9
(1-CYCLOPROPYL-1H-PYRAZOL-5-YL)BORONIC ACID PINACOL ESTER
- Product code: SSC-101437
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 5g, 1g, 10g
- Available purity: ≥98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
2123477-78-9 / 1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Basic Information
CAS
2123477-78-9
Multi CAS
No
Molecular Formula
C12H19BN2O2
Molecular Weight
234.100000
Exact Mass
234.153958
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3CC3
InChI
InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)10-7-8-14-15(10)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKey
KCDXIJGKLSHKBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
66.21
TPSA
36.28
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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
No
Synthetic Accessibility
1.5
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![CAS 2124196-74-1 L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2124196-74-1.png)
