CAS RN: 82-44-0
1-Chloroanthraquinone
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.20260417 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-190253
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: 500g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 500g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
82-44-0 / 1-chloroanthracene-9,10-dione
Basic Information
CAS
82-44-0
Multi CAS
Yes
Molecular Formula
C14H7CLO2
Molecular Weight
242.650000
Exact Mass
242.013457
InChI
InChI=1S/C14H7ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H
InChIKey
BOCJQSFSGAZAPQ-UHFFFAOYSA-N
Physical Properties
Melting Point
162 °C
Boiling Point
Sublimes
Physical Description
Yellow solid; [HSDB] Yellow powder
Appearance
YELLOW NEEDLES FROM TOLUENE OR ALCOHOL
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
64.76
TPSA
34.14
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
4
Consensus LogP
3.29
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
