![CAS 313968-60-4 5-FURAN-2-YL-7-TRIFLUOROMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6379553(1).gif)
CAS RN: 313968-60-4
5-FURAN-2-YL-7-TRIFLUOROMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
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.20260313 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS313968-60-4
- Purity/Analytical Methods: >99.0%
313968-60-4 / 5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Basic Information
CAS
313968-60-4
Multi CAS
No
Molecular Formula
C12F3H6N3O3
Molecular Weight
297.190000
Exact Mass
297.036126
InChI
InChI=1S/C12H6F3N3O3/c13-12(14,15)9-4-6(8-2-1-3-21-8)16-10-5-7(11(19)20)17-18(9)10/h1-5H,(H,19,20)
InChIKey
DWERTUCXEXDQSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.65
TPSA
80.63
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
1.9
Consensus LogP
2.33
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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