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CAS 1056174-56-1 1-(2-Methoxypyrimidin-5-yl)ethanone molecular structure lightbox
CAS RN: 1056174-56-1

1-(2-Methoxypyrimidin-5-yl)ethanone

  • Product code: SSC-007335
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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: 0.25g
  • 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 1056174-56-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1056174-56-1 / 1-(2-methoxypyrimidin-5-yl)ethanone

1-(2-methoxypyrimidin-5-yl)ethanone | 1-(2-methoxypyrimidin-5-yl)ethan-1-one | MFCD23132059

Standard CAS: 1056174-56-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1056174-56-1
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
SMILES
CC(=O)C1=CN=C(N=C1)OC
InChI
InChI=1S/C7H8N2O2/c1-5(10)6-3-8-7(11-2)9-4-6/h3-4H,1-2H3
InChIKey
DWZJXRXUTGETEU-UHFFFAOYSA-N
Synonyms
1-(2-methoxypyrimidin-5-yl)ethanone 1-(2-methoxypyrimidin-5-yl)ethan-1-one MFCD23132059 SCHEMBL2187864 GSB17456

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
38.59
TPSA
52.08

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.2
Consensus LogP
0.5
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.16

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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