CAS RN: 87512-29-6
2-chloro-6-(methylsulfonyl)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.20250128 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS87512-29-6
- Purity/Analytical Methods: >99.0%
87512-29-6 / 2-chloro-6-methylsulfonylpyridine
Basic Information
CAS
87512-29-6
Multi CAS
No
Molecular Formula
C6H6CLNO2S
Molecular Weight
191.640000
Exact Mass
190.980777
InChI
InChI=1S/C6H6ClNO2S/c1-11(9,10)6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKey
LEFPANUISJDYMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.36
TPSA
47.03
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
1.4
Consensus LogP
1.18
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.08
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
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