![CAS 1160995-45-8 2,4-dichloro-6-nitropyrrolo[1,2-f][1,2,4]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160995-45-8.gif)
CAS RN: 1160995-45-8
2,4-dichloro-6-nitropyrrolo[1,2-f][1,2,4]triazine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-016242
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Beijing | Inquiry |
1160995-45-8 / 2,4-dichloro-6-nitropyrrolo[2,1-f][1,2,4]triazine
2,4-Dichloro-6-nitropyrrolo[2,1-f][1,2,4]triazine | MFCD12400797 | 2,4-DICHLORO-6-NITROPYRROLO[1,2-F][1,2,4]TRIAZINE
Basic Information
CAS
1160995-45-8
Multi CAS
No
Molecular Formula
C6H2Cl2N4O2
Molecular Weight
233.010000
Exact Mass
231.955481
SMILES
C1=C2C(=NC(=NN2C=C1[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C6H2Cl2N4O2/c7-5-4-1-3(12(13)14)2-11(4)10-6(8)9-5/h1-2H
InChIKey
UILXDKCIJUPNOF-UHFFFAOYSA-N
Synonyms
2,4-Dichloro-6-nitropyrrolo[2,1-f][1,2,4]triazine
MFCD12400797
2,4-DICHLORO-6-NITROPYRROLO[1,2-F][1,2,4]TRIAZINE
C6H2Cl2N4O2
2,4-dichloro-6-nitro-pyrrolo[2,1-f][1,2,4]triazine
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
49.66
TPSA
73.33
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
2.2
Consensus LogP
1.95
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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