![CAS 1263282-98-9 5-chloro-3-iodo-2-Methylpyrazolo[1,5-a]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263282-98-9.gif)
CAS RN: 1263282-98-9
5-chloro-3-iodo-2-Methylpyrazolo[1,5-a]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.20250730 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1263282-98-9
- Purity/Analytical Methods: >99.0%
1263282-98-9 / 5-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine
Basic Information
CAS
1263282-98-9
Multi CAS
No
Molecular Formula
C7H5ClIN3
Molecular Weight
293.490000
Exact Mass
292.921670
SMILES
CC1=NN2C=CC(=NC2=C1I)Cl
InChI
InChI=1S/C7H5ClIN3/c1-4-6(9)7-10-5(8)2-3-12(7)11-4/h2-3H,1H3
InChIKey
FKQSQSUSGOYQFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
55.45
TPSA
30.19
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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