CAS RN: 942920-11-8
1-Ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- Product code: SSC-208953
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 | Shanghai | Inquiry |
942920-11-8 / 1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Basic Information
CAS
942920-11-8
Multi CAS
No
Molecular Formula
BC17H22N3O4
Molecular Weight
343.200000
Exact Mass
343.170336
InChI
InChI=1S/C17H22BN3O4/c1-6-20-11-14(18-24-16(2,3)17(4,5)25-18)15(19-20)12-7-9-13(10-8-12)21(22)23/h7-11H,6H2,1-5H3
InChIKey
BNJLOSTYUZRZME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
95.71
TPSA
79.42
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
2.78
Consensus LogP
2.67
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
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
Customers Also Viewed
-
4-broMo-1-ethyl-3-(4-nitrophenyl)-1H-pyrazole
- CAS RN: 942920-12-9
- Product Code: SSC-208954
-
4-(3-Bromo-thiophen-2-yl)-1-(toluene-4-sulfonyl)-1H-indole
- CAS RN: 942920-42-5
- Product Code: starshine_CAS942920-42-5
- Purity/Analytical method: >99.0%
-
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-6-chloro-
- CAS RN: 942920-50-5
- Product Code: SSC-208956
-
ethyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
- CAS RN: 942920-55-0
- Product Code: SSC-208957
-
1,2,3,4-TETRAHYDRO-2-METHYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-ISOQUINOLINE
- CAS RN: 942921-84-8
- Product Code: SSC-208958
-
2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER
- CAS RN: 942922-07-8
- Product Code: SSC-208959
![CAS 942920-50-5 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-6-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942920-50-5.gif)
![CAS 942920-55-0 ethyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942920-55-0.gif)
