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CAS 1008112-03-5 7-BroMo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine molecular structure lightbox
CAS RN: 1008112-03-5

7-BroMo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250405 100mg In stock Shanghai Inquiry
Batchno.20251118 1g In stock Shanghai Inquiry
Batchno.20260414 250mg In stock Shanghai Inquiry
  • Product code: SSC-001538
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1008112-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1008112-03-5 / 7-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine

7-BROMO-2,4-DICHLOROPYRROLO[2,1-F][1,2,4]TRIAZINE | MFCD22415227 | Pyrrolo[2,1-f][1,2,4]triazine, 7-bromo-2,4-dichloro-

Standard CAS: 1008112-03-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1008112-03-5
Multi CAS
No
Molecular Formula
C6H2BrCl2N3
Molecular Weight
266.910000
Exact Mass
264.880920
SMILES
C1=C2C(=NC(=NN2C(=C1)Br)Cl)Cl
InChI
InChI=1S/C6H2BrCl2N3/c7-4-2-1-3-5(8)10-6(9)11-12(3)4/h1-2H
InChIKey
BAWWEBPYOBYGPY-UHFFFAOYSA-N
Synonyms
7-BROMO-2,4-DICHLOROPYRROLO[2,1-F][1,2,4]TRIAZINE MFCD22415227 Pyrrolo[2,1-f][1,2,4]triazine, 7-bromo-2,4-dichloro- 7-Bromo-2,4-dichloro-pyrrolo[2,1-f][1,2,4]triazine SCHEMBL13429493

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
50.71
TPSA
30.19

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
3.4
Consensus LogP
2.89
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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