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CAS 89939-60-6 BUTTPARK 13440-75 molecular structure lightbox
CAS RN: 89939-60-6

BUTTPARK 13440-75

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS89939-60-6
  • Purity/Analytical Methods: >99.0%
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89939-60-6 / 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Standard CAS: 89939-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89939-60-6
Multi CAS
No
Molecular Formula
C8H6N4O
Molecular Weight
174.160000
Exact Mass
174.054161
InChI
InChI=1S/C8H6N4O/c1-5-2-7(13)12-8(11-5)6(3-9)4-10-12/h2,4,10H,1H3
InChIKey
BURYOVHUIIUWEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.26
TPSA
73.95

LogP / Solubility

WLOGP
0.2
MLOGP
0.18
Consensus LogP
0.13
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very 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)
-3.64

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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