CAS RN: 1089330-70-0
2-Fluoro-pyridine-3-sulphonylchloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250818 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1089330-70-0
- Purity/Analytical Methods: >99.0%
1089330-70-0 / 2-fluoropyridine-3-sulfonyl chloride
2-Fluoropyridine-3-sulfonyl chloride | RefChem:472666 | 842-022-0
Basic Information
CAS
1089330-70-0
Multi CAS
No
Molecular Formula
C5H3ClFNO2S
Molecular Weight
195.600000
Exact Mass
194.955705
SMILES
C1=CC(=C(N=C1)F)S(=O)(=O)Cl
InChI
InChI=1S/C5H3ClFNO2S/c6-11(9,10)4-2-1-3-8-5(4)7/h1-3H
InChIKey
MSOAVTSXBMHOEM-UHFFFAOYSA-N
Synonyms
2-Fluoropyridine-3-sulfonyl chloride
RefChem:472666
842-022-0
2-Fluoro-pyridine-3-sulfonyl chloride
MFCD11227180
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.23
TPSA
47.03
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
1.3
Consensus LogP
1.15
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.1
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
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501
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