CAS RN: 1956371-35-9
3-chloroquinoline-7-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.20260121 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1956371-35-9
- Purity/Analytical Methods: >99.0%
1956371-35-9 / 3-chloroquinoline-7-sulfonyl chloride
Basic Information
CAS
1956371-35-9
Multi CAS
No
Molecular Formula
C9H5Cl2NO2S
Molecular Weight
262.110000
Exact Mass
260.941805
SMILES
C1=CC(=CC2=NC=C(C=C21)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H5Cl2NO2S/c10-7-3-6-1-2-8(15(11,13)14)4-9(6)12-5-7/h1-5H
InChIKey
IPFRMPKRNZZBBB-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
2.8
Consensus LogP
2.7
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
Leadlikeness
Yes
Synthetic Accessibility
1.5
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