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CAS 23956-12-9 5-(2-HYDROXYETHYL)URACIL molecular structure lightbox
CAS RN: 23956-12-9

5-(2-HYDROXYETHYL)URACIL

  • Product code: SSC-116913
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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 23956-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

23956-12-9 / 5-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione

Standard CAS: 23956-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23956-12-9
Multi CAS
No
Molecular Formula
C6H8N2O3
Molecular Weight
156.140000
Exact Mass
156.053492
SMILES
C1=C(C(=O)NC(=O)N1)CCO
InChI
InChI=1S/C6H8N2O3/c9-2-1-4-3-7-6(11)8-5(4)10/h3,9H,1-2H2,(H2,7,8,10,11)
InChIKey
WVOOACKBYPVACH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.47
TPSA
85.95

LogP / Solubility

WLOGP
-1.4
MLOGP
-1.24
XLogP3
-1.4
Consensus LogP
-1.35
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
0.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
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)
-4.67

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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