CAS RN: 1261737-06-7
6-chloro-5-fluoropyridine-3-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.20260103 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1261737-06-7
- Purity/Analytical Methods: >99.0%
1261737-06-7 / 6-chloro-5-fluoropyridine-3-sulfonyl chloride
Basic Information
CAS
1261737-06-7
Multi CAS
No
Molecular Formula
C5H2Cl2FNO2S
Molecular Weight
230.040000
Exact Mass
228.916733
SMILES
C1=C(C=NC(=C1F)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C5H2Cl2FNO2S/c6-5-4(8)1-3(2-9-5)12(7,10)11/h1-2H
InChIKey
BTIFOCMOVIICLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.24
TPSA
47.03
LogP / Solubility
WLOGP
1.8
MLOGP
1.59
XLogP3
1.9
Consensus LogP
1.76
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
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
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
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