CAS RN: 7576-65-0
Solvent Yellow 114
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.20251122 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7576-65-0
- Purity/Analytical Methods: >99.0%
7576-65-0 / 2-(3-hydroxyquinolin-2-yl)indene-1,3-dione
Basic Information
CAS
7576-65-0
Multi CAS
No
Molecular Formula
C18H11NO3
Molecular Weight
289.300000
Exact Mass
289.073893
InChI
InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H
InChIKey
FDTLQXNAPKJJAM-UHFFFAOYSA-N
Physical Properties
Physical Description
NKRA
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.25
TPSA
67.26
LogP / Solubility
WLOGP
3.1
MLOGP
2.74
XLogP3
3
Consensus LogP
2.95
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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