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CAS 56059-30-4 5-Fluoro-3,4-dihydro-2,4-dioxo-1(2H)-PyriMidineacetic Acid molecular structure lightbox
CAS RN: 56059-30-4

5-Fluoro-3,4-dihydro-2,4-dioxo-1(2H)-PyriMidineacetic Acid

  • Product code: SSC-164025
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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, 5g, 1g
  • Available purity: >97%
  • 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 56059-30-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

56059-30-4 / 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid

Standard CAS: 56059-30-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56059-30-4
Multi CAS
Yes
Molecular Formula
C6FH5N2O4
Molecular Weight
188.110000
Exact Mass
188.023335
InChI
InChI=1S/C6H5FN2O4/c7-3-1-9(2-4(10)11)6(13)8-5(3)12/h1H,2H2,(H,10,11)(H,8,12,13)
InChIKey
CPMUSDZOVZYEJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.92
TPSA
92.16

LogP / Solubility

WLOGP
-1.24
MLOGP
-1.09
XLogP3
-0.9
Consensus LogP
-1.08
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.09
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)
-4.75

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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