CAS RN: 2142-05-4
2-(3-methoxyphenyl)-1H-isoindole-1,3(2H)-dione
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.20250409 | 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2142-05-4
- Purity/Analytical Methods: >99.0%
2142-05-4 / 2-(3-methoxyphenyl)isoindole-1,3-dione
Basic Information
CAS
2142-05-4
Multi CAS
No
Molecular Formula
C15H11NO3
Molecular Weight
253.250000
Exact Mass
253.073893
SMILES
COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H11NO3/c1-19-11-6-4-5-10(9-11)16-14(17)12-7-2-3-8-13(12)15(16)18/h2-9H,1H3
InChIKey
UTDBCWSLBSPUPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.58
TPSA
46.61
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2.4
Consensus LogP
2.37
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS2158-10-3
- Purity/Analytical method: >99.0%
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