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CAS 22126-44-9 6-(HYDROXYMETHYL)URACIL molecular structure lightbox
CAS RN: 22126-44-9

6-(HYDROXYMETHYL)URACIL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260617 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-106470
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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 22126-44-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

22126-44-9 / 6-(hydroxymethyl)-1H-pyrimidine-2,4-dione

Standard CAS: 22126-44-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22126-44-9
Multi CAS
No
Molecular Formula
C5H6N2O3
Molecular Weight
142.110000
Exact Mass
142.037842
SMILES
C1=C(NC(=O)NC1=O)CO
InChI
InChI=1S/C5H6N2O3/c8-2-3-1-4(9)7-5(10)6-3/h1,8H,2H2,(H2,6,7,9,10)
InChIKey
JVZRLPFSWSIONO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
33.61
TPSA
85.95

LogP / Solubility

WLOGP
-1.44
MLOGP
-1.28
XLogP3
-2
Consensus LogP
-1.57
Log S (ESOL)
-0.19
Class (ESOL)
Very soluble
Log S (Ali)
0.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.5
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)
-4.61

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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