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CAS 1368794-39-1 7-Bromo-4-methyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one molecular structure lightbox
CAS RN: 1368794-39-1

7-Bromo-4-methyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one

  • Product code: SSC-046148
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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, 1g, 5g
  • 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 1368794-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1368794-39-1 / 7-bromo-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

Standard CAS: 1368794-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1368794-39-1
Multi CAS
No
Molecular Formula
C8H8BrN3O
Molecular Weight
242.070000
Exact Mass
240.985070
SMILES
CN1CC(=O)NC2=C1N=CC(=C2)Br
InChI
InChI=1S/C8H8BrN3O/c1-12-4-7(13)11-6-2-5(9)3-10-8(6)12/h2-3H,4H2,1H3,(H,11,13)
InChIKey
QAMUOBSXKFQRQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.84
TPSA
45.23

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1
Consensus LogP
1.11
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.32

Drug-likeness / Medicinal Chemistry

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

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