CAS RN: 205055-71-6
2-CHLOROQUINOLINE-6-SULFONYL CHLORIDE
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.20251214 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS205055-71-6
- Purity/Analytical Methods: >99.0%
205055-71-6 / 2-chloroquinoline-6-sulfonyl chloride
Basic Information
CAS
205055-71-6
Multi CAS
No
Molecular Formula
C9H5Cl2NO2S
Molecular Weight
262.110000
Exact Mass
260.941805
SMILES
C1=CC2=C(C=CC(=N2)Cl)C=C1S(=O)(=O)Cl
InChI
InChI=1S/C9H5Cl2NO2S/c10-9-4-1-6-5-7(15(11,13)14)2-3-8(6)12-9/h1-5H
InChIKey
OBSXSFGTHBBROC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.79
TPSA
47.03
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.7
Consensus LogP
2.67
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS205064-10-4
- Purity/Analytical method: >99.0%
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