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CAS 83702-52-7 6-ACETYL-7-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE molecular structure lightbox
CAS RN: 83702-52-7

6-ACETYL-7-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS83702-52-7
  • Purity/Analytical Methods: >99.0%
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83702-52-7 / 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

Standard CAS: 83702-52-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83702-52-7
Multi CAS
No
Molecular Formula
C10H8N4O
Molecular Weight
200.200000
Exact Mass
200.069811
InChI
InChI=1S/C10H8N4O/c1-6-9(7(2)15)5-12-10-8(3-11)4-13-14(6)10/h4-5H,1-2H3
InChIKey
OVSWMPRBOLNAMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
52.44
TPSA
71.05

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
0.1
Consensus LogP
0.73
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

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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