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CAS 855789-56-9 1,2,4-Triazolo[4,3-a]pyridine, 3-(chloroMethyl)- molecular structure lightbox
CAS RN: 855789-56-9

1,2,4-Triazolo[4,3-a]pyridine, 3-(chloroMethyl)-

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250110 100mg In stock Shanghai Inquiry
Batchno.20260219 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260626 1g In stock Shanghai Inquiry
Batchno.20251109 250mg In stock Shanghai Inquiry
Batchno.20260124 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS855789-56-9
  • Purity/Analytical Methods: >99.0%
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855789-56-9 / 3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine

Standard CAS: 855789-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
855789-56-9
Multi CAS
No
Molecular Formula
C7H6CLN3
Molecular Weight
167.590000
Exact Mass
167.025025
InChI
InChI=1S/C7H6ClN3/c8-5-7-10-9-6-3-1-2-4-11(6)7/h1-4H,5H2
InChIKey
WAKBTKMCEHZSKR-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
3
Molar refractivity
42.54
TPSA
30.19

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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