CAS RN: 52693-61-5
3-METHANESULFONYL-PYRIDINE
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.20250215 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52693-61-5
- Purity/Analytical Methods: >99.0%
52693-61-5 / 3-methylsulfonylpyridine
Basic Information
CAS
52693-61-5
Multi CAS
No
Molecular Formula
C6H7NO2S
Molecular Weight
157.190000
Exact Mass
157.019750
InChI
InChI=1S/C6H7NO2S/c1-10(8,9)6-3-2-4-7-5-6/h2-5H,1H3
InChIKey
HZSAPNSHGPNDHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.35
TPSA
47.03
LogP / Solubility
WLOGP
0.49
MLOGP
0.42
XLogP3
0.1
Consensus LogP
0.34
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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