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CAS 65-86-1 Orotic acid molecular structure lightbox
CAS RN: 65-86-1

Orotic acid

  • Product code: SSC-174657
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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: 25g, 100g, 500g
  • Available purity: ≥98%
  • 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 65-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
100g ≥98% 5 In Stock Shanghai Inquiry
500g ≥98% 5 In Stock Shenzhen Inquiry

65-86-1 / 2,4-dioxo-1H-pyrimidine-6-carboxylic acid

Standard CAS: 65-86-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
65-86-1
Multi CAS
Yes
Molecular Formula
C5H4N2O4
Molecular Weight
156.100000
Exact Mass
156.017107
InChI
InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChIKey
PXQPEWDEAKTCGB-UHFFFAOYSA-N

Physical Properties

Melting Point
653 to 655 °F (NTP, 1992) 345-346 °C 345.5 °C
Physical Description
Orotic acid appears as white crystals or crystalline powder. (NTP, 1992) Solid
Appearance
Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.64
TPSA
103.02

LogP / Solubility

WLOGP
-1.24
MLOGP
-1.1
XLogP3
-1.4
Consensus LogP
-1.25
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.23
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)
-4.55

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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