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CAS 56177-80-1 2-Ethoxy-5-fluoro-1H-pyrimidin-4-one molecular structure lightbox
CAS RN: 56177-80-1

2-Ethoxy-5-fluoro-1H-pyrimidin-4-one

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 100g In stock Tianjin, Chengdu Inquiry
Batchno.20260518 25g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250508 5g In stock Shanghai Inquiry
  • Product code: SSC-164156
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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: 100g
  • 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 56177-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

56177-80-1 / 2-ethoxy-5-fluoro-1H-pyrimidin-6-one

Standard CAS: 56177-80-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56177-80-1
Multi CAS
Yes
Molecular Formula
C6FH7N2O2
Molecular Weight
158.130000
Exact Mass
158.049156
InChI
InChI=1S/C6H7FN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)
InChIKey
XREDGJFKPWBNRQ-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
1
Molar refractivity
35.98
TPSA
54.98

LogP / Solubility

WLOGP
0.31
MLOGP
0.27
XLogP3
0.4
Consensus LogP
0.33
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.47

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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