![CAS 1250997-22-8 5-Tert-Butyl 2-Ethyl 7,8-Dihydro-4H-Pyrazolo[1,5-A][1,4]Diazepine-2,5(6H)-Dicarboxylate(WX140749) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250997-22-8.gif)
CAS RN: 1250997-22-8
5-Tert-Butyl 2-Ethyl 7,8-Dihydro-4H-Pyrazolo[1,5-A][1,4]Diazepine-2,5(6H)-Dicarboxylate(WX140749)
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.20250410 | 100mg / 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-029636
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1250997-22-8 / 5-O-tert-butyl 2-O-ethyl 4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxylate
Basic Information
CAS
1250997-22-8
Multi CAS
No
Molecular Formula
C15H23N3O4
Molecular Weight
309.360000
Exact Mass
309.168856
SMILES
CCOC(=O)C1=NN2CCCN(CC2=C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H23N3O4/c1-5-21-13(19)12-9-11-10-17(7-6-8-18(11)16-12)14(20)22-15(2,3)4/h9H,5-8,10H2,1-4H3
InChIKey
SOHDLTQLRQZHBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
79.44
TPSA
73.66
LogP / Solubility
WLOGP
2.2
MLOGP
1.95
XLogP3
1.6
Consensus LogP
1.92
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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