CAS RN: 897776-15-7
INZ-1
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.20250616 | 1mg / 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS897776-15-7
- Purity/Analytical Methods: >99.0%
897776-15-7 / methyl 2-(3-phenylindazol-1-yl)acetate
Basic Information
CAS
897776-15-7
Multi CAS
No
Molecular Formula
C16H14N2O2
Molecular Weight
266.290000
Exact Mass
266.105528
InChI
InChI=1S/C16H14N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey
RBYOCUDWQCQSAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
77.19
TPSA
44.12
LogP / Solubility
WLOGP
2.88
MLOGP
2.54
XLogP3
3.3
Consensus LogP
2.91
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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