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CAS 1801262-20-3 6-BROMO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-8-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 1801262-20-3

6-BROMO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-8-CARBOXYLIC ACID METHYL ESTER

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260519 100mg In stock Shanghai Inquiry
Batchno.20250608 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250820 1g In stock Shanghai Inquiry
Batchno.20260608 250mg In stock Shanghai Inquiry
Batchno.20250920 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1801262-20-3
  • Purity/Analytical Methods: >99.0%
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1801262-20-3 / methyl 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

Standard CAS: 1801262-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1801262-20-3
Multi CAS
No
Molecular Formula
C8H6BrN3O2
Molecular Weight
256.060000
Exact Mass
254.964340
SMILES
COC(=O)C1=CC(=CN2C1=NC=N2)Br
InChI
InChI=1S/C8H6BrN3O2/c1-14-8(13)6-2-5(9)3-12-7(6)10-4-11-12/h2-4H,1H3
InChIKey
GXZZFQIVHPQZIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
52.03
TPSA
56.49

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.3
Consensus LogP
1.24
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

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

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