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CAS 487-21-8 2,4-Pteridinediol molecular structure lightbox
CAS RN: 487-21-8

2,4-Pteridinediol

  • Product code: SSC-155360
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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: 5g
  • Available purity: ＞97%
  • 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 487-21-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

487-21-8 / 1H-pteridine-2,4-dione

Standard CAS: 487-21-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
487-21-8
Multi CAS
Yes
Molecular Formula
C6H4N4O2
Molecular Weight
164.120000
Exact Mass
164.033425
InChI
InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
InChIKey
UYEUUXMDVNYCAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.78
TPSA
91.5

LogP / Solubility

WLOGP
-0.99
MLOGP
-0.88
XLogP3
-1
Consensus LogP
-0.96
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.1
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.43

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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