CAS RN: 204129-50-0
2-(cyclopentylthio)ethanamine
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.20260210 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS204129-50-0
- Purity/Analytical Methods: >99.0%
204129-50-0 / 2-cyclopentylsulfanylethanamine
Basic Information
CAS
204129-50-0
Multi CAS
No
Molecular Formula
C7H15NS
Molecular Weight
145.270000
Exact Mass
145.092521
SMILES
C1CCC(C1)SCCN
InChI
InChI=1S/C7H15NS/c8-5-6-9-7-3-1-2-4-7/h7H,1-6,8H2
InChIKey
WUBBSMWTJGXZFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.77
TPSA
26.02
LogP / Solubility
WLOGP
1.62
MLOGP
1.42
XLogP3
1.2
Consensus LogP
1.41
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.31
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)
-2.46
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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