CAS RN: 84-47-9
2-tert-Butylanthraquinone
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
- Product code: SSC-191615
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: 25g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
84-47-9 / 2-tert-butylanthracene-9,10-dione
Basic Information
CAS
84-47-9
Multi CAS
Yes
Molecular Formula
C18H16O2
Molecular Weight
264.300000
Exact Mass
264.115030
InChI
InChI=1S/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3
InChIKey
YTPSFXZMJKMUJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
78.45
TPSA
34.14
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
5.2
Consensus LogP
4.09
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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)
-1.66
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
1.5
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![CAS 1196107-75-1 2-Bromo-13,13-dimethyl-6,11-di(naphthalen-2-yl)-13H-indeno[1,2-b]anthracene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5581-jpgcontextbwfzdgvyfhjvb3r8nduzmjj8aw1hz2uvanblz3xontivagu1lzg5mjkymdc5mta0mzavqju1odeuanbnfdlhmmy5yjcxotm5yjkznjg3mgm4ntnlmjg1nta0ywyymzlkyzzkote4zjq2yzrmote3ytjjyziynwrjnzc3nda.jpeg)
