CAS RN: 72913-59-8
1H-INDEN-1-ONE, 5-METHOXY-
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.20250423 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS72913-59-8
- Purity/Analytical Methods: >99.0%
72913-59-8 / 5-methoxyinden-1-one
Basic Information
CAS
72913-59-8
Multi CAS
No
Molecular Formula
C10H8O2
Molecular Weight
160.170000
Exact Mass
160.052429
InChI
InChI=1S/C10H8O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h2-6H,1H3
InChIKey
RUBAXSSGWHONDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.36
TPSA
26.3
LogP / Solubility
WLOGP
1.9
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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