CAS RN: 1613504-83-8
5-bromo-6-methoxy-1-(tetrahydro-2H-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.20251206 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1613504-83-8
- Purity/Analytical Methods: >99.0%
1613504-83-8 / 5-bromo-6-methoxy-1-(oxan-2-yl)indazole
Basic Information
CAS
1613504-83-8
Multi CAS
No
Molecular Formula
C13H15BrN2O2
Molecular Weight
311.170000
Exact Mass
310.031690
SMILES
COC1=C(C=C2C=NN(C2=C1)C3CCCCO3)Br
InChI
InChI=1S/C13H15BrN2O2/c1-17-12-7-11-9(6-10(12)14)8-15-16(11)13-4-2-3-5-18-13/h6-8,13H,2-5H2,1H3
InChIKey
WNLAOFYVYUUHAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.83
TPSA
36.28
LogP / Solubility
WLOGP
3.51
MLOGP
3.1
XLogP3
3
Consensus LogP
3.2
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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