CAS RN: 138428-37-2
METHANESULFONATE-2-PYRIDINEETHANOL ESTER
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.20250924 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS138428-37-2
- Purity/Analytical Methods: >99.0%
138428-37-2 / 2-pyridin-2-ylethyl methanesulfonate
Basic Information
CAS
138428-37-2
Multi CAS
No
Molecular Formula
C8H11NO3S
Molecular Weight
201.250000
Exact Mass
201.045964
SMILES
CS(=O)(=O)OCCC1=CC=CC=N1
InChI
InChI=1S/C8H11NO3S/c1-13(10,11)12-7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3
InChIKey
CKGSHCWOMRPYTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
48.74
TPSA
56.26
LogP / Solubility
WLOGP
0.6
MLOGP
0.53
XLogP3
0.2
Consensus LogP
0.44
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.52
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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