![CAS 641-57-6 7,9-Diphenyl-8H-cyclopent[a]acenaphthylen-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/641-57-6.gif)
CAS RN: 641-57-6
7,9-Diphenyl-8H-cyclopent[a]acenaphthylen-8-one
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.20250510 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS641-57-6
- Purity/Analytical Methods: >99.0%
641-57-6 / 7,9-diphenylcyclopenta[a]acenaphthylen-8-one
Basic Information
CAS
641-57-6
Multi CAS
Yes
Molecular Formula
C27H16O
Molecular Weight
356.400000
Exact Mass
356.120115
InChI
InChI=1S/C27H16O/c28-27-23(18-9-3-1-4-10-18)25-20-15-7-13-17-14-8-16-21(22(17)20)26(25)24(27)19-11-5-2-6-12-19/h1-16H
InChIKey
QQGHPFDLUNMBGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
22
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
115.47
TPSA
17.07
LogP / Solubility
WLOGP
6.26
MLOGP
5.53
XLogP3
5.8
Consensus LogP
5.86
Log S (ESOL)
-6.44
Class (ESOL)
Insoluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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