![CAS 712319-09-0 7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/712319-09-0.gif)
CAS RN: 712319-09-0
7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS712319-09-0
- Purity/Analytical Methods: >99.0%
712319-09-0 / 7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Basic Information
CAS
712319-09-0
Multi CAS
No
Molecular Formula
C14F3H8N3O2
Molecular Weight
307.230000
Exact Mass
307.056861
InChI
InChI=1S/C14H8F3N3O2/c15-8-3-1-7(2-4-8)10-5-11(12(16)17)20-13(19-10)9(6-18-20)14(21)22/h1-6,12H,(H,21,22)
InChIKey
MGWMQXYPFYYFRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.3
TPSA
67.49
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
2.3
Consensus LogP
2.76
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
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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