CAS RN: 1280786-85-7
5-Bromo-1-butyl-1H-indazole
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.20250120 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1280786-85-7
- Purity/Analytical Methods: >99.0%
1280786-85-7 / 5-bromo-1-butylindazole
Basic Information
CAS
1280786-85-7
Multi CAS
No
Molecular Formula
C11H13BrN2
Molecular Weight
253.140000
Exact Mass
252.026210
SMILES
CCCCN1C2=C(C=C(C=C2)Br)C=N1
InChI
InChI=1S/C11H13BrN2/c1-2-3-6-14-11-5-4-10(12)7-9(11)8-13-14/h4-5,7-8H,2-3,6H2,1H3
InChIKey
WZKCPFIDHKMCCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
62.34
TPSA
17.82
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
3.4
Consensus LogP
3.39
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-1.71
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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