![CAS 888720-60-3 5-chloro-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/888720-60-3.gif)
CAS RN: 888720-60-3
5-chloro-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
- Product code: SSC-200585
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 | Beijing | Inquiry |
888720-60-3 / 5-chloro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Basic Information
CAS
888720-60-3
Multi CAS
Yes
Molecular Formula
C6H4CLN3O
Molecular Weight
169.570000
Exact Mass
169.004290
InChI
InChI=1S/C6H4ClN3O/c7-4-1-2-10-5(4)6(11)8-3-9-10/h1-3H,(H,8,9,11)
InChIKey
HRJQMAIKMCZVAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.82
TPSA
50.16
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
0.8
Consensus LogP
0.69
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-3.27
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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