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CAS 53761-38-9 5-(3-Hydroxypropyl)-2,4(1H,3H)-pyriMidinedione molecular structure lightbox
CAS RN: 53761-38-9

5-(3-Hydroxypropyl)-2,4(1H,3H)-pyriMidinedione

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251130 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-161145
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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 53761-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

53761-38-9 / 5-(3-hydroxypropyl)-1H-pyrimidine-2,4-dione

Standard CAS: 53761-38-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53761-38-9
Multi CAS
Yes
Molecular Formula
C7H10N2O3
Molecular Weight
170.170000
Exact Mass
170.069142
InChI
InChI=1S/C7H10N2O3/c10-3-1-2-5-4-8-7(12)9-6(5)11/h4,10H,1-3H2,(H2,8,9,11,12)
InChIKey
SQMSSZQFSKGEMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.09
TPSA
85.95

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.89
XLogP3
-1.1
Consensus LogP
-1
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
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)
-4.48

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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