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CAS 934-33-8 1H-Purine, 8-methyl- (9CI) molecular structure lightbox
CAS RN: 934-33-8

1H-Purine, 8-methyl- (9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS934-33-8
  • Purity/Analytical Methods: >99.0%
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934-33-8 / 8-methyl-7H-purine

Standard CAS: 934-33-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
934-33-8
Multi CAS
Yes
Molecular Formula
C6H6N4
Molecular Weight
134.140000
Exact Mass
134.059246
InChI
InChI=1S/C6H6N4/c1-4-9-5-2-7-3-8-6(5)10-4/h2-3H,1H3,(H,7,8,9,10)
InChIKey
UZQYFLWZKIMYKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.42
TPSA
54.46

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.5
Consensus LogP
0.58
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-3.07

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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