![CAS 1250443-87-8 2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250443-87-8.gif)
CAS RN: 1250443-87-8
2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
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.20250206 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1250443-87-8
- Purity/Analytical Methods: >99.0%
1250443-87-8 / 2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Basic Information
CAS
1250443-87-8
Multi CAS
No
Molecular Formula
C12H12ClN3
Molecular Weight
233.690000
Exact Mass
233.071975
SMILES
C1CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)CN1
InChI
InChI=1S/C12H12ClN3/c13-10-3-1-9(2-4-10)12-7-11-8-14-5-6-16(11)15-12/h1-4,7,14H,5-6,8H2
InChIKey
QMHHJSIXKDONKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.38
TPSA
29.85
LogP / Solubility
WLOGP
2.31
MLOGP
2.03
XLogP3
1.6
Consensus LogP
1.98
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
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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