![CAS 1233181-67-3 5‐bromo‐2‐(methylsulfanyl)pyrrolo[2,1‐ f][1,2,4]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1233181-67-3.gif)
CAS RN: 1233181-67-3
5‐bromo‐2‐(methylsulfanyl)pyrrolo[2,1‐ f][1,2,4]triazine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-026965
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 |
1233181-67-3 / 5-bromo-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
Basic Information
CAS
1233181-67-3
Multi CAS
No
Molecular Formula
C7H6BrN3S
Molecular Weight
244.110000
Exact Mass
242.946580
SMILES
CSC1=NN2C=CC(=C2C=N1)Br
InChI
InChI=1S/C7H6BrN3S/c1-12-7-9-4-6-5(8)2-3-11(6)10-7/h2-4H,1H3
InChIKey
PGDYWSRJVBROKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.47
TPSA
30.19
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
1.9
Consensus LogP
2.02
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.64
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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