CAS RN: 1209246-34-3
2,6-Dichloro-5-nitroquinoline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 25mg / 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1209246-34-3
- Purity/Analytical Methods: >99.0%
1209246-34-3 / 2,6-dichloro-5-nitroquinoline
2,6-DICHLORO-5-NITROQUINOLINE | MFCD12406121 | 2,6-dichloro-5-nitro-quinoline
Basic Information
CAS
1209246-34-3
Multi CAS
No
Molecular Formula
C9H4Cl2N2O2
Molecular Weight
243.040000
Exact Mass
241.964983
SMILES
C1=CC(=NC2=C1C(=C(C=C2)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H4Cl2N2O2/c10-6-2-3-7-5(9(6)13(14)15)1-4-8(11)12-7/h1-4H
InChIKey
RYXCRTPDGCOPAP-UHFFFAOYSA-N
Synonyms
2,6-DICHLORO-5-NITROQUINOLINE
MFCD12406121
2,6-dichloro-5-nitro-quinoline
DTXSID00672140
AKOS022175377
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.42
TPSA
56.03
LogP / Solubility
WLOGP
3.45
MLOGP
3.04
XLogP3
3.6
Consensus LogP
3.36
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly 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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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