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CAS 69849-33-8 5-Fluoro-1-(2-propyn-1-yl)-2,4(1H,3H)-pyrimidinedione molecular structure lightbox
CAS RN: 69849-33-8

5-Fluoro-1-(2-propyn-1-yl)-2,4(1H,3H)-pyrimidinedione

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250122 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-179627
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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 69849-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

69849-33-8 / 5-fluoro-1-prop-2-ynylpyrimidine-2,4-dione

Standard CAS: 69849-33-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69849-33-8
Multi CAS
Yes
Molecular Formula
C7FH5N2O2
Molecular Weight
168.120000
Exact Mass
168.033506
InChI
InChI=1S/C7H5FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h1,4H,3H2,(H,9,11,12)
InChIKey
GMCOGJQJFDQZCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.11
TPSA
54.86

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.61
XLogP3
-0.4
Consensus LogP
-0.57
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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