CAS RN: 205985-92-8
(4S,2RS)-2-ETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
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.20250827 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS205985-92-8
- Purity/Analytical Methods: >99.0%
205985-92-8 / (4S)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
Basic Information
CAS
205985-92-8
Multi CAS
No
Molecular Formula
C6H11NO2S
Molecular Weight
161.220000
Exact Mass
161.051050
SMILES
CCC1N[C@H](CS1)C(=O)O
InChI
InChI=1S/C6H11NO2S/c1-2-5-7-4(3-10-5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5?/m1/s1
InChIKey
RSZVGLFPGDKTDK-CNZKWPKMSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.1
TPSA
49.33
LogP / Solubility
WLOGP
0.51
MLOGP
0.45
XLogP3
-1.4
Consensus LogP
-0.15
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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