CAS RN: 160450-16-8
1H-Isoindol-1-one, 2,3-dihydro-6-phenyl-
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.20250814 | 500mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS160450-16-8
- Purity/Analytical Methods: >99.0%
160450-16-8 / 6-phenyl-2,3-dihydroisoindol-1-one
Basic Information
CAS
160450-16-8
Multi CAS
No
Molecular Formula
C14H11NO
Molecular Weight
209.240000
Exact Mass
209.084064
SMILES
C1C2=C(C=C(C=C2)C3=CC=CC=C3)C(=O)N1
InChI
InChI=1S/C14H11NO/c16-14-13-8-11(6-7-12(13)9-15-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)
InChIKey
QTENOXFSNBDPMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.05
TPSA
29.1
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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