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CAS 1036762-04-5 6-(4-Fluorophenyl)pyrazolo[1,5-a]pyrimidine molecular structure lightbox
CAS RN: 1036762-04-5

6-(4-Fluorophenyl)pyrazolo[1,5-a]pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1036762-04-5
  • Purity/Analytical Methods: >99.0%
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1036762-04-5 / 6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine

6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine | MFCD28405285 | SCHEMBL13336472

Standard CAS: 1036762-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1036762-04-5
Multi CAS
No
Molecular Formula
C12H8FN3
Molecular Weight
213.210000
Exact Mass
213.070225
SMILES
C1=CC(=CC=C1C2=CN3C(=CC=N3)N=C2)F
InChI
InChI=1S/C12H8FN3/c13-11-3-1-9(2-4-11)10-7-14-12-5-6-15-16(12)8-10/h1-8H
InChIKey
QATNPTKCVXWGFB-UHFFFAOYSA-N
Synonyms
6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine MFCD28405285 SCHEMBL13336472 AKOS027334449 DS-12413

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.38
TPSA
30.19

LogP / Solubility

WLOGP
2.54
MLOGP
2.23
XLogP3
2.1
Consensus LogP
2.29
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.22

Drug-likeness / Medicinal Chemistry

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

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