![CAS 1233143-59-3 Pyrrolo[2,1-f][1,2,4]triazine, 5-bromo-2-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1233143-59-3.gif)
CAS RN: 1233143-59-3
Pyrrolo[2,1-f][1,2,4]triazine, 5-bromo-2-chloro-
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-026961
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: ＞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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1233143-59-3 / 5-bromo-2-chloropyrrolo[2,1-f][1,2,4]triazine
Basic Information
CAS
1233143-59-3
Multi CAS
No
Molecular Formula
C6H3BrClN3
Molecular Weight
232.460000
Exact Mass
230.919890
SMILES
C1=CN2C(=C1Br)C=NC(=N2)Cl
InChI
InChI=1S/C6H3BrClN3/c7-4-1-2-11-5(4)3-9-6(8)10-11/h1-3H
InChIKey
AXXQRRWVSIJWNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.7
TPSA
30.19
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.61
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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