CAS RN: 1196151-88-8
2-(Chloromethyl)-5-(methylsulfonyl)pyridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250710 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1196151-88-8
- Purity/Analytical Methods: >99.0%
1196151-88-8 / 2-(chloromethyl)-5-methylsulfonylpyridine
2-(chloromethyl)-5-(methylsulfonyl)pyridine | 2-(chloromethyl)-5-methylsulfonylpyridine | 2-(CHLOROMETHYL)-5-METHANESULFONYLPYRIDINE
Basic Information
CAS
1196151-88-8
Multi CAS
Yes
Molecular Formula
C7H8ClNO2S
Molecular Weight
205.660000
Exact Mass
204.996427
SMILES
CS(=O)(=O)C1=CN=C(C=C1)CCl
InChI
InChI=1S/C7H8ClNO2S/c1-12(10,11)7-3-2-6(4-8)9-5-7/h2-3,5H,4H2,1H3
InChIKey
DDUPPYNRMUFZQX-UHFFFAOYSA-N
Synonyms
2-(chloromethyl)-5-(methylsulfonyl)pyridine
2-(chloromethyl)-5-methylsulfonylpyridine
2-(CHLOROMETHYL)-5-METHANESULFONYLPYRIDINE
SCHEMBL14760478
AKOS032960800
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.9
TPSA
47.03
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
0.5
Consensus LogP
0.93
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.11
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
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- Product Code: SSC-020204
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![CAS 1196152-11-0 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIDIN-3-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196152-11-0.gif)
