CAS RN: 2158267-70-8
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-3-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-103445
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2158267-70-8 / 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carbonitrile
Basic Information
CAS
2158267-70-8
Multi CAS
No
Molecular Formula
C11H16BN3O2
Molecular Weight
233.080000
Exact Mass
233.133557
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C#N)C
InChI
InChI=1S/C11H16BN3O2/c1-10(2)11(3,4)17-12(16-10)8-7-15(5)14-9(8)6-13/h7H,1-5H3
InChIKey
FNMUJDMHLCPZQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
63.64
TPSA
60.07
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
0.59
Consensus LogP
0.57
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-3.72
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
Customers Also Viewed
-
Isoquinoline, 4-bromo-6-(difluoromethyl)-7-(1-methyl-1H-pyrazol-4-yl)-
- CAS RN: 2158267-87-7
- Product Code: starshine_CAS2158267-87-7
- Purity/Analytical method: >99.0%
-
(S)-2-(piperazin-2-yl)acetonitrile dihydrochloride
- CAS RN: 2158301-19-8
- Product Code: SSC-103450
-
1-Benzyl 4-(tert-butyl) (S)-2-(cyanomethyl)piperazine-1,4-dicarboxylate
- CAS RN: 2158302-00-0
- Product Code: SSC-103451
-
Benzyl (S)-2-(cyanomethyl)piperazine-1-carboxylate
- CAS RN: 2158302-01-1
- Product Code: SSC-103452
-
(S)-benzyl 2-(cyanomethyl)piperazine-1-carboxylate hydrochloride
- CAS RN: 2158302-02-2
- Product Code: SSC-103453
-
tert-butyl (S)-4-(4-((benzyloxy)carbonyl)-3-(cyanomethyl)piperazin-1-yl)-2-chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate
- CAS RN: 2158302-03-3
- Product Code: starshine_CAS2158302-03-3
- Purity/Analytical method: >99.0%
![CAS 2158302-03-3 tert-butyl (S)-4-(4-((benzyloxy)carbonyl)-3-(cyanomethyl)piperazin-1-yl)-2-chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2158302-03-3.png)