CAS RN: 143765-02-0
S-(2-Acetamidoethyl) cyclohexanecarbothioate
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.20250331 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS143765-02-0
- Purity/Analytical Methods: >99.0%
143765-02-0 / S-(2-acetamidoethyl) cyclohexanecarbothioate
Basic Information
CAS
143765-02-0
Multi CAS
No
Molecular Formula
C11H19NO2S
Molecular Weight
229.340000
Exact Mass
229.113650
SMILES
CC(=O)NCCSC(=O)C1CCCCC1
InChI
InChI=1S/C11H19NO2S/c1-9(13)12-7-8-15-11(14)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,12,13)
InChIKey
CGDLYRNYJORDEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.72
TPSA
46.17
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
2.1
Consensus LogP
1.93
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-2.73
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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