CAS RN: 1874148-66-9
3,5-Dimethyl-1-trityl-1H-pyrazole-4-boronic Acid Pinacol Ester
- Product code: SSC-087133
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: 10g, 1g, 5g, 0.25g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1874148-66-9 / 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylpyrazole
Basic Information
CAS
1874148-66-9
Multi CAS
No
Molecular Formula
C30H33BN2O2
Molecular Weight
464.400000
Exact Mass
464.263509
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C30H33BN2O2/c1-22-27(31-34-28(3,4)29(5,6)35-31)23(2)33(32-22)30(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21H,1-6H3
InChIKey
AXWJCSNCJUEQKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
23
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
142.02
TPSA
36.28
LogP / Solubility
WLOGP
5.64
MLOGP
4.99
XLogP3
5.64
Consensus LogP
5.42
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1874177-91-9 Potassium [4-(9H-carbazol-9-yl)-phenyl]trifluoroboranuide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Potassium [4-(9H-carbazol-9-yl)-phenyl]trifluoroboranuide
- CAS RN: 1874177-91-9
- Product Code: starshine_CAS1874177-91-9
- Purity/Analytical method: >99.0%
-
1,2-Benzenediamine, N1,N2-bis[4-(1,1-dimethylethyl)phenyl]-
- CAS RN: 1874244-27-5
- Product Code: starshine_CAS1874244-27-5
- Purity/Analytical method: >99.0%
-
3-amino-N-(3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl)-6-(3-(trifluoromethyl)pyridin-2-yl)pyrazine-2-carboxamide
- CAS RN: 1874276-76-2
- Product Code: SSC-087139
-
tert-butyl(1-(2-aminopyridin-3-yl)-4-methylpiperidin-4-yl)carbamate
- CAS RN: 1874279-28-3
- Product Code: SSC-087140
-
1-(2-(trifluoromethyl)pyridin-4-yl)-1H-pyrazol-4-amine
- CAS RN: 1874322-72-1
- Product Code: starshine_CAS1874322-72-1
- Purity/Analytical method: >99.0%
-
![CAS 1874177-91-9 Potassium [4-(9H-carbazol-9-yl)-phenyl]trifluoroboranuide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1874177-91-9.gif)
![CAS 1874244-27-5 1,2-Benzenediamine, N1,N2-bis[4-(1,1-dimethylethyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1874244-27-5.gif)
