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CAS 51953-05-0 9H-Purin-8-ol (9CI) molecular structure lightbox
CAS RN: 51953-05-0

9H-Purin-8-ol (9CI)

  • Product code: SSC-159003
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51953-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry

51953-05-0 / 7,9-dihydropurin-8-one

Standard CAS: 51953-05-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51953-05-0
Multi CAS
Yes
Molecular Formula
C5H4N4O
Molecular Weight
136.110000
Exact Mass
136.038511
InChI
InChI=1S/C5H4N4O/c10-5-8-3-1-6-2-7-4(3)9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey
YPDSIEMYVQERLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.51
TPSA
74.43

LogP / Solubility

WLOGP
-0.35
MLOGP
-0.32
XLogP3
-0.8
Consensus LogP
-0.49
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
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)
-3.8

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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