CAS RN: 1983152-92-6
3-Isopropyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- Product code: SSC-093448
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 | Shenzhen | Inquiry |
1983152-92-6 / 5-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Basic Information
CAS
1983152-92-6
Multi CAS
No
Molecular Formula
C12H21BN2O2
Molecular Weight
236.120000
Exact Mass
236.169608
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)C(C)C
InChI
InChI=1S/C12H21BN2O2/c1-8(2)10-9(7-14-15-10)13-16-11(3,4)12(5,6)17-13/h7-8H,1-6H3,(H,14,15)
InChIKey
CCSAOVXHBKZRHL-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
3
H-bond donors
1
Molar refractivity
68.39
TPSA
47.14
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.86
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
-
1H-Pyrazole, 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 1983152-93-7
- Product Code: SSC-093449
-
1H-Pyrazole, 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 1983153-03-2
- Product Code: SSC-093450
-
ethyl 6-azaspiro[2.5]octane-1-carboxylate hydrochloride
- CAS RN: 1983157-41-0
- Product Code: starshine_CAS1983157-41-0
- Purity/Analytical method: >99.0%
-
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6R)-
- CAS RN: 1983196-25-3
- Product Code: starshine_CAS1983196-25-3
- Purity/Analytical method: >99.0%
-
1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid
- CAS RN: 1983202-21-6
- Product Code: SSC-093456
-
“1,1′:3′,1″”-terphenyl]-2,2″”,5,5′,5″”-pentacarboxylic acid”
- CAS RN: 1983995-54-5
- Product Code: starshine_CAS1983995-54-5
- Purity/Analytical method: >99.0%
![CAS 1983157-41-0 ethyl 6-azaspiro[2.5]octane-1-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1983157-41-0.gif)
![CAS 1983196-25-3 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1983196-25-3.gif)
![CAS 1983995-54-5 “1,1′:3′,1″”-terphenyl]-2,2″”,5,5′,5″”-pentacarboxylic acid” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1983995-54-5.gif)