CAS RN: 2375268-16-7
4-Bromo-6-chloro-5-methyl-1-(tetrahydro-pyran-2-yl)-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.20250106 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2375268-16-7
- Purity/Analytical Methods: >99.0%
2375268-16-7 / 4-bromo-3-iodo-1-(oxan-2-yl)indazole
Basic Information
CAS
2375268-16-7
Multi CAS
No
Molecular Formula
C12H12BrIN2O
Molecular Weight
407.040000
Exact Mass
405.917770
SMILES
C1CCOC(C1)N2C3=C(C(=CC=C3)Br)C(=N2)I
InChI
InChI=1S/C12H12BrIN2O/c13-8-4-3-5-9-11(8)12(14)15-16(9)10-6-1-2-7-17-10/h3-5,10H,1-2,6-7H2
InChIKey
CVGHNYMSZHCILX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
78.99
TPSA
27.05
LogP / Solubility
WLOGP
4.1
MLOGP
3.64
XLogP3
3.7
Consensus LogP
3.81
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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