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CAS 929617-41-4 tert-butyl 5-broMo-1H-pyrazolo[3,4-c]pyridine-1-carboxylate molecular structure lightbox
CAS RN: 929617-41-4

tert-butyl 5-broMo-1H-pyrazolo[3,4-c]pyridine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS929617-41-4
  • Purity/Analytical Methods: >99.0%
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929617-41-4 / tert-butyl 5-bromopyrazolo[3,4-c]pyridine-1-carboxylate

Standard CAS: 929617-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
929617-41-4
Multi CAS
No
Molecular Formula
BC11H12O2Rn3
Molecular Weight
298.140000
Exact Mass
297.011290
InChI
InChI=1S/C11H12BrN3O2/c1-11(2,3)17-10(16)15-8-6-13-9(12)4-7(8)5-14-15/h4-6H,1-3H3
InChIKey
WFQXTZNDXLYCJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
66.86
TPSA
57.01

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
2.8
Consensus LogP
2.8
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-2.42

Drug-likeness / Medicinal Chemistry

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

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