CAS RN: 153504-81-5
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Product Availability
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1 package records 0 with current stock 1 grade group
Grade
95% (1)
In stock only
Batch No. Package Availability Lead Time Inquiry
Batchno.20260402
100mg / 250mg
Out of stock
5-7 business days Inquiry
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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
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Recorded sizes, purity and stock details for CAS 153504-81-5
Pack Size
Recorded Purity
Available Qty
Ship From
Inquiry
1g
≥95%
0
Out of Stock
Shanghai
Inquiry
153504-81-5 / 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
Standard CAS: 153504-81-5
Multi CAS: No
Basic Information
copy
CAS
153504-81-5 copy
Multi CAS
No copy
Molecular Formula
C8H3Cl2N3O4 copy
Molecular Weight
276.030000 copy
Exact Mass
274.950061 copy
SMILES
C1=C2C(=C(C(=C1Cl)Cl)[N+](=O)[O-])NC(=O)C(=O)N2 copy
InChI
InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15) copy
InChIKey
CHFSOFHQIZKQCR-UHFFFAOYSA-N copy
Computed Properties
copy
Structural Parameters
Heavy atom count
17 copy
Aromatic heavy atom count
10 copy
Rotatable bonds
1 copy
H-bond acceptors
4 copy
H-bond donors
2 copy
Molar refractivity
61.86 copy
TPSA
108.86 copy
LogP / Solubility
WLOGP
1.43 copy
MLOGP
1.27 copy
XLogP3
1.5 copy
Consensus LogP
1.4 copy
Log S (ESOL)
-2.82 copy
Class (ESOL)
Moderately soluble copy
Log S (Ali)
-2.86 copy
Class (Ali)
Moderately soluble copy
Log S (SILICOS-IT)
-2.76 copy
Class (SILICOS-IT)
Moderately soluble copy
ADME
GI absorption
High copy
BBB permeant
No copy
P-gp substrate
No copy
CYP1A2 inhibitor
No copy
CYP2C19 inhibitor
No copy
CYP2C9 inhibitor
No copy
CYP2D6 inhibitor
No copy
CYP3A4 inhibitor
No copy
Log Kp (skin permeation)
-3.39 copy
Drug-likeness / Medicinal Chemistry
Lipinski
Yes copy
Ghose
No copy
Veber
Yes copy
Egan
Yes copy
Muegge
Yes copy
Bioavailability score
0.55 copy
Brenk alerts
1 copy
Leadlikeness
Yes copy
Synthetic Accessibility
1.5 copy