CAS RN: 1006875-83-7
tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate
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.20250820 | 25mg / 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-001350
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 | Shanghai | Inquiry |
1006875-83-7 / tert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate | MFCD22570725 | tert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
Basic Information
CAS
1006875-83-7
Multi CAS
No
Molecular Formula
C15H25BN2O4
Molecular Weight
308.180000
Exact Mass
308.190737
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)OC(C)(C)C
InChI
InChI=1S/C15H25BN2O4/c1-13(2,3)20-12(19)10-18-9-11(8-17-18)16-21-14(4,5)15(6,7)22-16/h8-9H,10H2,1-7H3
InChIKey
UZSRXQQCEWMKJL-UHFFFAOYSA-N
Synonyms
tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate
MFCD22570725
tert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
tert-butyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate
1H-Pyrazole-1-acetic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
83.79
TPSA
62.58
LogP / Solubility
WLOGP
1.52
MLOGP
1.35
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-3.52
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
-
1-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid
- CAS RN: 1006876-25-0
- Product Code: SSC-001352
-
N,N-diMethyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)picolinaMide
- CAS RN: 1006876-27-2
- Product Code: SSC-001353
-
5-Chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
- CAS RN: 1006879-06-6
- Product Code: SSC-001354
-
1-(tert-butyl) 4-ethyl (3S,4S)-3-aminopiperidine-1,4-dicarboxylate
- CAS RN: 1006891-30-0
- Product Code: SSC-001355
-
-
1-(2-nitrophenyl)-1H-pyrazole-4-carboxylic acid
- CAS RN: 1006952-14-2
- Product Code: SSC-001359
![CAS 1006879-06-6 5-Chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1006879-06-6.gif)
