CAS RN: 267875-30-9
2-CYANO-4-METHYL-5-NITROPYRIDINE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-124954
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
267875-30-9 / 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
Basic Information
CAS
267875-30-9
Multi CAS
Yes
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
InChI
InChI=1S/C7H5N3O2/c11-6-7(12)10-5-3-8-2-1-4(5)9-6/h1-3H,(H,9,11)(H,10,12)
InChIKey
XJBUUVXPCSJTDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.98
TPSA
78.61
LogP / Solubility
WLOGP
-0.39
MLOGP
-0.35
XLogP3
-0.6
Consensus LogP
-0.45
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
Class (SILICOS-IT)
Very 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)
-3.99
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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