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CAS 501359-37-1 1,2,4-Triazolo[4,3-a]pyridine,5-methoxy-(9CI) molecular structure lightbox
CAS RN: 501359-37-1

1,2,4-Triazolo[4,3-a]pyridine,5-methoxy-(9CI)

  • Product code: SSC-156541
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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 501359-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

501359-37-1 / 5-methoxy-[1,2,4]triazolo[4,3-a]pyridine

Standard CAS: 501359-37-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501359-37-1
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
InChI
InChI=1S/C7H7N3O/c1-11-7-4-2-3-6-9-8-5-10(6)7/h2-5H,1H3
InChIKey
GTSMTZVUYFHVES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
39.54
TPSA
39.42

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
1.5
Consensus LogP
0.96
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.11

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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