![CAS 2055405-85-9 methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055405-85-9.gif)
CAS RN: 2055405-85-9
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate hydrochloride
- Product code: SSC-096742
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 | Hong Kong | Inquiry |
2055405-85-9 / methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
Basic Information
CAS
2055405-85-9
Multi CAS
No
Molecular Formula
C8H12ClN3O2
Molecular Weight
217.650000
Exact Mass
217.061804
SMILES
COC(=O)C1=NN2CCNCC2=C1.Cl
InChI
InChI=1S/C8H11N3O2.ClH/c1-13-8(12)7-4-6-5-9-2-3-11(6)10-7;/h4,9H,2-3,5H2,1H3;1H
InChIKey
CVJVUIKTSBBCTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.52
TPSA
56.15
LogP / Solubility
WLOGP
0.19
MLOGP
0.17
XLogP3
0.19
Consensus LogP
0.18
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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