CAS RN: 192945-25-8
Ethyl 3-bromo-1H-indazole-5-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250101 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS192945-25-8
- Purity/Analytical Methods: >99.0%
192945-25-8 / ethyl 3-bromo-2H-indazole-5-carboxylate
Basic Information
CAS
192945-25-8
Multi CAS
No
Molecular Formula
C10H9BrN2O2
Molecular Weight
269.090000
Exact Mass
267.984740
SMILES
CCOC(=O)C1=CC2=C(NN=C2C=C1)Br
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)6-3-4-8-7(5-6)9(11)13-12-8/h3-5H,2H2,1H3,(H,12,13)
InChIKey
NSYRMKZCMBQKAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.75
TPSA
54.98
LogP / Solubility
WLOGP
2.5
MLOGP
2.21
XLogP3
2.8
Consensus LogP
2.5
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.59
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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