CAS RN: 22360-86-7
2,3-Dichloro-5-nitro-1,4-naphthoquinone
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-109035
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
22360-86-7 / 2,3-dichloro-5-nitronaphthalene-1,4-dione
Basic Information
CAS
22360-86-7
Multi CAS
No
Molecular Formula
C10H3Cl2NO4
Molecular Weight
272.040000
Exact Mass
270.943913
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C(=C(C2=O)Cl)Cl
InChI
InChI=1S/C10H3Cl2NO4/c11-7-8(12)10(15)6-4(9(7)14)2-1-3-5(6)13(16)17/h1-3H
InChIKey
AWCITCQRUBWCJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
60.49
TPSA
77.28
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
3
Consensus LogP
2.67
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
