![CAS 1334135-75-9 3-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1334135-75-9.gif)
CAS RN: 1334135-75-9
3-a]pyrazine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-040094
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 | Shenzhen | Inquiry |
1334135-75-9 / 6-bromo-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
Basic Information
CAS
1334135-75-9
Multi CAS
No
Molecular Formula
C5H2BrClN4
Molecular Weight
233.450000
Exact Mass
231.915140
SMILES
C1=C(N=C(C2=NN=CN21)Cl)Br
InChI
InChI=1S/C5H2BrClN4/c6-3-1-11-2-8-10-5(11)4(7)9-3/h1-2H
InChIKey
ZLJLYILYSDGQLY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
Molar refractivity
43.49
TPSA
43.08
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
2.1
Consensus LogP
1.67
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
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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