CAS RN: 58609-75-9
Maleimide, N-4-biphenylyl-
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.20250111 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS58609-75-9
- Purity/Analytical Methods: >99.0%
58609-75-9 / 1-(4-phenylphenyl)pyrrole-2,5-dione
Basic Information
CAS
58609-75-9
Multi CAS
No
Molecular Formula
C16H11NO2
Molecular Weight
249.260000
Exact Mass
249.078979
InChI
InChI=1S/C16H11NO2/c18-15-10-11-16(19)17(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
InChIKey
RXWKCYQPTDVVSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
73.51
TPSA
37.38
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.7
Consensus LogP
2.64
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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