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CAS 1795186-93-4 7-Difluoromethyl-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine molecular structure lightbox
CAS RN: 1795186-93-4

7-Difluoromethyl-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250625 100mg Out of stock Inquiry
Batchno.20260105 100mg Out of stock 8-10 business days Inquiry
Batchno.20250929 1g In stock Shanghai Inquiry
Batchno.20250306 250mg Out of stock Inquiry
  • Product code: starshine_CAS1795186-93-4
  • Purity/Analytical Methods: >99.0%
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1795186-93-4 / 7-(difluoromethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

Standard CAS: 1795186-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1795186-93-4
Multi CAS
No
Molecular Formula
C9H9F2N3
Molecular Weight
197.180000
Exact Mass
197.076454
SMILES
CC1=NC2=CC(=NN2C(=C1)C(F)F)C
InChI
InChI=1S/C9H9F2N3/c1-5-3-7(9(10)11)14-8(12-5)4-6(2)13-14/h3-4,9H,1-2H3
InChIKey
WMBMRXORZVRTJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.42
TPSA
30.19

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
1.8
Consensus LogP
2.03
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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