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CAS 17687-24-0 5-NITROOROTIC ACID molecular structure lightbox
CAS RN: 17687-24-0

5-NITROOROTIC ACID

  • Product code: SSC-077381
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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 17687-24-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

17687-24-0 / 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

Standard CAS: 17687-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17687-24-0
Multi CAS
No
Molecular Formula
C5H3N3O6
Molecular Weight
201.090000
Exact Mass
201.002185
SMILES
C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)
InChIKey
OPGJGRWULGFTOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
41.3
TPSA
146.16

LogP / Solubility

WLOGP
-1.33
MLOGP
-1.17
XLogP3
-1.2
Consensus LogP
-1.23
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very 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)
-4.89

Drug-likeness / Medicinal Chemistry

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

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