![CAS 252722-52-4 4-(1-PIPERAZINYL)-1H-PYRROLO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/252722-52-4.gif)
CAS RN: 252722-52-4
4-(1-PIPERAZINYL)-1H-PYRROLO[2,3-D]PYRIMIDINE
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.20250507 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS252722-52-4
- Purity/Analytical Methods: >99.0%
252722-52-4 / 4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
252722-52-4
Multi CAS
No
Molecular Formula
C10H13N5
Molecular Weight
203.240000
Exact Mass
203.117095
InChI
InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
InChIKey
LZSXQBNNRGZPES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.97
TPSA
56.84
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
0.5
Consensus LogP
0.4
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.7
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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