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CAS 408531-05-5 Acetyl hypoxanthine molecular structure lightbox
CAS RN: 408531-05-5

Acetyl hypoxanthine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-149241
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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: 1g
  • 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 408531-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

408531-05-5 / 9-acetyl-5H-purin-6-one

Standard CAS: 408531-05-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
408531-05-5
Multi CAS
Yes
Molecular Formula
C7H6N4O2
Molecular Weight
178.150000
Exact Mass
178.049075
InChI
InChI=1S/C7H6N4O2/c1-4(12)11-3-10-5-6(11)8-2-9-7(5)13/h2-3H,1H3,(H,8,9,13)
InChIKey
CMHKDVSDWIISHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.29
H-bond acceptors
4
Molar refractivity
45.73
TPSA
74.46

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.7
XLogP3
-1.1
Consensus LogP
-0.86
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.16
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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