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CAS 28199-56-6 1H-Purine, 6-methyl-, 1-oxide (9CI) molecular structure lightbox
CAS RN: 28199-56-6

1H-Purine, 6-methyl-, 1-oxide (9CI)

  • Product code: SSC-128984
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 28199-56-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

28199-56-6 / 1-hydroxy-6-methylpurine

Standard CAS: 28199-56-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28199-56-6
Multi CAS
No
Molecular Formula
C6H6N4O
Molecular Weight
150.140000
Exact Mass
150.054161
InChI
InChI=1S/C6H6N4O/c1-4-5-6(8-2-7-5)9-3-10(4)11/h2-3,11H,1H3
InChIKey
CMSWTHGWUDKMGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
5
H-bond donors
1
Molar refractivity
36.36
TPSA
63.83

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.2
Consensus LogP
0.27
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.9
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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