![CAS 1361227-90-8 4(1H)-Quinolinone, 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methyl-1-oxobutyl)-5-nitro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1361227-90-8.gif)
CAS RN: 1361227-90-8
4(1H)-Quinolinone, 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methyl-1-oxobutyl)-5-nitro-
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.20260508 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-045015
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1361227-90-8 / 8-chloro-2-(2,4-dichloroanilino)-3-(3-methylbutanoyl)-5-nitro-1H-quinolin-4-one
Basic Information
CAS
1361227-90-8
Multi CAS
No
Molecular Formula
C20H16Cl3N3O4
Molecular Weight
468.700000
Exact Mass
467.020639
SMILES
CC(C)CC(=O)C1=C(NC2=C(C=CC(=C2C1=O)[N+](=O)[O-])Cl)NC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H16Cl3N3O4/c1-9(2)7-15(27)17-19(28)16-14(26(29)30)6-4-11(22)18(16)25-20(17)24-13-5-3-10(21)8-12(13)23/h3-6,8-9H,7H2,1-2H3,(H2,24,25,28)
InChIKey
LRTXIQCBQIKIOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
119.76
TPSA
105.1
LogP / Solubility
WLOGP
6.37
MLOGP
5.64
XLogP3
6.7
Consensus LogP
6.24
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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