![CAS 1232224-62-2 5,7-Dichloro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1232224-62-2.gif)
CAS RN: 1232224-62-2
5,7-Dichloro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid ethyl ester
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250920 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250909 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250910 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260602 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1232224-62-2
- Purity/Analytical Methods: >99.0%
1232224-62-2 / ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
Basic Information
CAS
1232224-62-2
Multi CAS
No
Molecular Formula
C9H7Cl2N3O2
Molecular Weight
260.070000
Exact Mass
258.991532
SMILES
CCOC(=O)C1=NN2C(=C1)N=C(C=C2Cl)Cl
InChI
InChI=1S/C9H7Cl2N3O2/c1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h3-4H,2H2,1H3
InChIKey
PLWMWQRVHWSVEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.96
TPSA
56.49
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.8
Consensus LogP
2.32
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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