Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
6485-97-8 / 2-phenylanthracene-9,10-dione
Basic Information
CAS
6485-97-8
Multi CAS
Yes
Molecular Formula
C20H12O2
Molecular Weight
284.300000
Exact Mass
284.083730
InChI
InChI=1S/C20H12O2/c21-19-15-8-4-5-9-16(15)20(22)18-12-14(10-11-17(18)19)13-6-2-1-3-7-13/h1-12H
InChIKey
NTZCFGZBDDCNHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
85.19
TPSA
34.14
LogP / Solubility
WLOGP
4.13
MLOGP
3.64
XLogP3
5.2
Consensus LogP
4.32
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
