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CAS 668990-80-5 6-Bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine molecular structure lightbox
CAS RN: 668990-80-5

6-Bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250709 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS668990-80-5
  • Purity/Analytical Methods: >99.0%
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668990-80-5 / 6-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine

Standard CAS: 668990-80-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
668990-80-5
Multi CAS
No
Molecular Formula
BC9H8Rn3
Molecular Weight
238.080000
Exact Mass
236.990160
InChI
InChI=1S/C9H8BrN3/c10-7-3-4-8-11-12-9(6-1-2-6)13(8)5-7/h3-6H,1-2H2
InChIKey
ZWOJTEGIQBVJBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.66
TPSA
30.19

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.4
Consensus LogP
2.29
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

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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