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CAS 1434142-10-5 methyl 3-bromo-2-methyl-2H-indazole-6-carboxylate molecular structure lightbox
CAS RN: 1434142-10-5

methyl 3-bromo-2-methyl-2H-indazole-6-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250529 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1434142-10-5
  • Purity/Analytical Methods: >99.0%
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1434142-10-5 / methyl 3-bromo-2-methylindazole-6-carboxylate

Standard CAS: 1434142-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1434142-10-5
Multi CAS
No
Molecular Formula
C10H9BrN2O2
Molecular Weight
269.090000
Exact Mass
267.984740
SMILES
CN1C(=C2C=CC(=CC2=N1)C(=O)OC)Br
InChI
InChI=1S/C10H9BrN2O2/c1-13-9(11)7-4-3-6(10(14)15-2)5-8(7)12-13/h3-5H,1-2H3
InChIKey
FVRROTQBDOYHRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
59.75
TPSA
44.12

LogP / Solubility

WLOGP
2.12
MLOGP
1.88
XLogP3
2.4
Consensus LogP
2.13
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
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)
-2.85

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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