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CAS 27131-84-6 6-chloro-3-methyl-[1,2,4triazolo[4,3-apyridine molecular structure lightbox
CAS RN: 27131-84-6

6-chloro-3-methyl-[1,2,4triazolo[4,3-apyridine

  • Product code: SSC-125944
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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 27131-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

27131-84-6 / 6-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

Standard CAS: 27131-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27131-84-6
Multi CAS
No
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
CC1=NN=C2N1C=C(C=C2)Cl
InChI
InChI=1S/C7H6ClN3/c1-5-9-10-7-3-2-6(8)4-11(5)7/h2-4H,1H3
InChIKey
FJYKROMBESBKGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
42.73
TPSA
30.19

LogP / Solubility

WLOGP
1.69
MLOGP
1.48
XLogP3
2.2
Consensus LogP
1.79
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-2.54

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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