CAS RN: 28856-92-0
Acetic acid, (2-pyridinylthio)-, ethyl ester (9CI)
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.20260215 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS28856-92-0
- Purity/Analytical Methods: >99.0%
28856-92-0 / ethyl 2-pyridin-2-ylsulfanylacetate
Basic Information
CAS
28856-92-0
Multi CAS
No
Molecular Formula
C9H11NO2S
Molecular Weight
197.260000
Exact Mass
197.051050
InChI
InChI=1S/C9H11NO2S/c1-2-12-9(11)7-13-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKey
HSXSCFBUTNCJFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
51.59
TPSA
39.19
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
2
Consensus LogP
1.76
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.69
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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