![CAS 1823389-42-9 Tert-Butyl 7-Hydroxy-7,8-Dihydro-4H-Pyrazolo[1,5-A][1,4]Diazepine-5(6H)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823389-42-9.gif)
CAS RN: 1823389-42-9
Tert-Butyl 7-Hydroxy-7,8-Dihydro-4H-Pyrazolo[1,5-A][1,4]Diazepine-5(6H)-Carboxylate
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.20250827 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-083685
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 |
1823389-42-9 / tert-butyl 7-hydroxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
Basic Information
CAS
1823389-42-9
Multi CAS
No
Molecular Formula
C12H19N3O3
Molecular Weight
253.300000
Exact Mass
253.142641
SMILES
CC(C)(C)OC(=O)N1CC(CN2C(=CC=N2)C1)O
InChI
InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)14-6-9-4-5-13-15(9)8-10(16)7-14/h4-5,10,16H,6-8H2,1-3H3
InChIKey
JXWHEDYCAWSYQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.88
TPSA
67.59
LogP / Solubility
WLOGP
0.99
MLOGP
0.88
Consensus LogP
0.62
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1823395-32-9 Tert-Butyl 4-Hydroxy-4,5-Dihydro-1H-Pyrrolo[1,2-A][1,4]Diazepine-2(3H)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823395-32-9.gif)
