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CAS 585-05-7 3-OXALURIC ACID molecular structure lightbox
CAS RN: 585-05-7

3-OXALURIC ACID

  • Product code: SSC-166738
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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 585-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

585-05-7 / 2-(carbamoylamino)-2-oxoacetic acid

Standard CAS: 585-05-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
585-05-7
Multi CAS
Yes
Molecular Formula
C3H4N2O4
Molecular Weight
132.080000
Exact Mass
132.017107
InChI
InChI=1S/C3H4N2O4/c4-3(9)5-1(6)2(7)8/h(H,7,8)(H3,4,5,6,9)
InChIKey
UWBHMRBRLOJJAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
25.36
TPSA
109.49

LogP / Solubility

WLOGP
-1.73
MLOGP
-1.53
XLogP3
-0.7
Consensus LogP
-1.32
Log S (ESOL)
0.43
Class (ESOL)
Highly soluble
Log S (Ali)
0.61
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.92
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)
-4.76

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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