![CAS 918538-04-2 PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/918538-04-2.gif)
CAS RN: 918538-04-2
PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260518 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20250514 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260124 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251124 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251014 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250619 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-205325
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
918538-04-2 / 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione
Basic Information
CAS
918538-04-2
Multi CAS
Yes
Molecular Formula
C6H5N3O2
Molecular Weight
151.120000
Exact Mass
151.038176
InChI
InChI=1S/C6H5N3O2/c10-5-4-2-1-3-9(4)8-6(11)7-5/h1-3H,(H2,7,8,10,11)
InChIKey
AQTRWCPNROUMPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.64
TPSA
70.13
LogP / Solubility
WLOGP
-0.68
MLOGP
-0.61
Consensus LogP
-0.43
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.07
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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