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CAS 1159831-56-7 5-Chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 1159831-56-7

5-Chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid

Product Availability

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 100mg Out of stock Inquiry
Batchno.20250909 1g Out of stock Inquiry
Batchno.20251212 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-015971
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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 1159831-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1159831-56-7 / 8-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid

8-Bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid | MFCD12401442 | AKOS023616667

Standard CAS: 1159831-56-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1159831-56-7
Multi CAS
Yes
Molecular Formula
C7H4BrN3O2
Molecular Weight
242.030000
Exact Mass
240.948690
SMILES
C1=CN2C(=NN=C2C(=O)O)C(=C1)Br
InChI
InChI=1S/C7H4BrN3O2/c8-4-2-1-3-11-5(4)9-10-6(11)7(12)13/h1-3H,(H,12,13)
InChIKey
RQUMCSIWBFPTRR-UHFFFAOYSA-N
Synonyms
8-Bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid MFCD12401442 AKOS023616667 KS-9049 SY323987

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.65
TPSA
67.49

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.7
Consensus LogP
1.31
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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)
-3.35

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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