CAS RN: 129-39-5
1,8-DINITROANTHRAQUINONE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260531 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260312 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260517 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS129-39-5
- Purity/Analytical Methods: >99.0%
129-39-5 / 1,8-dinitroanthracene-9,10-dione
Basic Information
CAS
129-39-5
Multi CAS
No
Molecular Formula
C14H6N2O6
Molecular Weight
298.210000
Exact Mass
298.022586
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)12-8(13)4-2-6-10(12)16(21)22/h1-6H
InChIKey
MBIJFIUDKPXMAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
73.06
TPSA
120.42
LogP / Solubility
WLOGP
2.28
MLOGP
2.02
XLogP3
2.5
Consensus LogP
2.27
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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