CAS RN: 214470-37-8
4-CHLORO-6-NITRO-QUINOLINE-3-CARBONITRILE
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.20260622 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS214470-37-8
- Purity/Analytical Methods: >99.0%
214470-37-8 / 4-chloro-6-nitroquinoline-3-carbonitrile
Basic Information
CAS
214470-37-8
Multi CAS
No
Molecular Formula
C10H4ClN3O2
Molecular Weight
233.610000
Exact Mass
232.999204
SMILES
C1=CC2=NC=C(C(=C2C=C1[N+](=O)[O-])Cl)C#N
InChI
InChI=1S/C10H4ClN3O2/c11-10-6(4-12)5-13-9-2-1-7(14(15)16)3-8(9)10/h1-3,5H
InChIKey
QRUCHOLKZVCUAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.12
TPSA
79.82
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
2.4
Consensus LogP
2.47
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.25
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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