![CAS 2271470-64-3 Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-7-(methylamino)-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2271470-64-3.gif)
CAS RN: 2271470-64-3
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-7-(methylamino)-, ethyl ester
- Product code: SSC-110778
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
2271470-64-3 / ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Basic Information
CAS
2271470-64-3
Multi CAS
No
Molecular Formula
C10H11ClN4O2
Molecular Weight
254.670000
Exact Mass
254.057053
SMILES
CCOC(=O)C1=C2N=C(C=C(N2N=C1)NC)Cl
InChI
InChI=1S/C10H11ClN4O2/c1-3-17-10(16)6-5-13-15-8(12-2)4-7(11)14-9(6)15/h4-5,12H,3H2,1-2H3
InChIKey
WIDWIMDVSZVNOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
63.5
TPSA
68.52
LogP / Solubility
WLOGP
1.6
MLOGP
1.42
XLogP3
1.8
Consensus LogP
1.61
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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