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CAS 2171029-30-2 6-Bromo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine molecular structure lightbox
CAS RN: 2171029-30-2

6-Bromo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260327 100mg In stock Shanghai Inquiry
Batchno.20250312 100mg Out of stock 8-10 business days Inquiry
Batchno.20250204 1g In stock Shanghai Inquiry
Batchno.20251024 250mg In stock Shanghai Inquiry
Batchno.20250628 5g In stock Shanghai Inquiry
  • Product code: SSC-104571
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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: ＞97%
  • 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 2171029-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2171029-30-2 / 6-bromo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

Standard CAS: 2171029-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2171029-30-2
Multi CAS
No
Molecular Formula
C7H6BrN3O
Molecular Weight
228.050000
Exact Mass
226.969420
SMILES
COC1=CC(=CN2C1=NC=N2)Br
InChI
InChI=1S/C7H6BrN3O/c1-12-6-2-5(8)3-11-7(6)9-4-10-11/h2-4H,1H3
InChIKey
JMGJQDGDUARDLM-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
47.24
TPSA
39.42

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.05

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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