CAS RN: 50342-01-3
QUINALDYL CHLORIDE 97
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.20250315 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS50342-01-3
- Purity/Analytical Methods: >99.0%
50342-01-3 / quinoline-2-carbonyl chloride
Basic Information
CAS
50342-01-3
Multi CAS
Yes
Molecular Formula
C10H6CLNO
Molecular Weight
191.610000
Exact Mass
191.013792
InChI
InChI=1S/C10H6ClNO/c11-10(13)9-6-5-7-3-1-2-4-8(7)12-9/h1-6H
InChIKey
WFVMVMAUXYOQSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.93
TPSA
29.96
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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