![CAS 1250443-97-0 5-N-Boc-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250443-97-0.gif)
CAS RN: 1250443-97-0
5-N-Boc-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester
- Product code: SSC-029515
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1250443-97-0 / 5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylate
Basic Information
CAS
1250443-97-0
Multi CAS
No
Molecular Formula
C14H21N3O4
Molecular Weight
295.330000
Exact Mass
295.153206
SMILES
CCOC(=O)C1=NN2CCN(CC2=C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H21N3O4/c1-5-20-12(18)11-8-10-9-16(6-7-17(10)15-11)13(19)21-14(2,3)4/h8H,5-7,9H2,1-4H3
InChIKey
OQLFGYLWUVQSNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
74.83
TPSA
73.66
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.2
Consensus LogP
1.54
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
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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