CAS RN: 194032-33-2
4-Fluoroisoquinoline-5-sulfonyl chloride
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.20250101 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS194032-33-2
- Purity/Analytical Methods: >99.0%
194032-33-2 / 4-fluoroisoquinoline-5-sulfonyl chloride
Basic Information
CAS
194032-33-2
Multi CAS
No
Molecular Formula
C9H5ClFNO2S
Molecular Weight
245.660000
Exact Mass
244.971355
SMILES
C1=CC2=CN=CC(=C2C(=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C9H5ClFNO2S/c10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8/h1-5H
InChIKey
UZUCKWMDQGESLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.74
TPSA
47.03
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.2
Consensus LogP
2.18
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501
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