![CAS 3067-13-8 1, 6-Benzo[a]pyrenedione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/3067-13-8.gif)
CAS RN: 3067-13-8
1, 6-Benzo[a]pyrenedione
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.20250509 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3067-13-8
- Purity/Analytical Methods: >99.0%
3067-13-8 / benzo[b]pyrene-1,6-dione
Basic Information
CAS
3067-13-8
Multi CAS
No
Molecular Formula
C20H10O2
Molecular Weight
282.300000
Exact Mass
282.068080
InChI
InChI=1S/C20H10O2/c21-17-10-6-11-5-7-16-19-13(8-9-15(17)18(11)19)12-3-1-2-4-14(12)20(16)22/h1-10H
InChIKey
OXWHZARNAGLRFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
H-bond acceptors
2
Molar refractivity
86.18
TPSA
34.14
LogP / Solubility
WLOGP
4.26
MLOGP
3.76
XLogP3
4.3
Consensus LogP
4.11
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
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)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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