CAS RN: 865887-17-8
ETHYL 5-BENZYLOXY-1H-INDAZOLE-3-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.20250428 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS865887-17-8
- Purity/Analytical Methods: >99.0%
865887-17-8 / ethyl 5-phenylmethoxy-1H-indazole-3-carboxylate
Basic Information
CAS
865887-17-8
Multi CAS
Yes
Molecular Formula
C17H16N2O3
Molecular Weight
296.320000
Exact Mass
296.116092
InChI
InChI=1S/C17H16N2O3/c1-2-21-17(20)16-14-10-13(8-9-15(14)18-19-16)22-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKey
SLXRKEYPUYJUAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.82
TPSA
64.21
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
3.6
Consensus LogP
3.28
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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