![CAS 1334510-66-5 Cyclopenta[fg]tetracene-1,2-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c2669-jpgcontextbwfzdgvyfhjvb3r8mzgwnjn8aw1hz2uvanblz3xozmmvadhklzg5mjk1nzm1mzu3nzqvqzi2njkuanbnfdzhzwm2zjk3nzlhmthlmddiodhjyjmzmjdknjdhnzkxmzg4n2fhzwm2mzk0ndcyody5zdmxntk0y2jimgrknja.jpeg)
CAS RN: 1334510-66-5
Cyclopenta[fg]tetracene-1,2-dione
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260223 | 50mg | In stock | Shanghai | Inquiry |
- Product code: ICTC2669
1334510-66-5 / pentacyclo[10.7.1.03,8.09,20.013,18]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-10,11-dione
Basic Information
CAS
1334510-66-5
Multi CAS
No
Molecular Formula
C20H10O2
Molecular Weight
282.300000
Exact Mass
282.068080
SMILES
C1=CC=C2C(=C1)C=C3C=C4C=CC=CC4=C5C3=C2C(=O)C5=O
InChI
InChI=1S/C20H10O2/c21-19-17-14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)18(16(13)17)20(19)22/h1-10H
InChIKey
AYSSMZWWOZPRMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
H-bond acceptors
2
Molar refractivity
87.62
TPSA
34.14
LogP / Solubility
WLOGP
4.53
MLOGP
3.99
XLogP3
4.7
Consensus LogP
4.41
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23
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
No
Synthetic Accessibility
3.5
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