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CAS RN: 364050-21-5
1,2-Ethanedione, 1-(6-Methyl-2-pyridinyl)-2-(6-quinoxalinyl)-
- Product code: SSC-143597
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
364050-21-5 / 1-(6-methyl-2-pyridinyl)-2-quinoxalin-6-ylethane-1,2-dione
Basic Information
CAS
364050-21-5
Multi CAS
No
Molecular Formula
C16H11N3O2
Molecular Weight
277.280000
Exact Mass
277.085127
InChI
InChI=1S/C16H11N3O2/c1-10-3-2-4-13(19-10)16(21)15(20)11-5-6-12-14(9-11)18-8-7-17-12/h2-9H,1H3
InChIKey
HGTPPHZSQCBWIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
77.17
TPSA
72.81
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 364071-17-0 2-PyrrolidinecarboxaMide, N-[(2S)-2-hydroxy-2-phenylethyl]-4-(MethoxyiMino)-1-[(2′-Methyl[1,1′-biphenyl]-4-yl)carbonyl]-, (2S,4Z)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/364071-17-0(2).gif)
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