CAS RN: 162148-17-6
pidotiMod iMpurity C
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.20260502 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS162148-17-6
- Purity/Analytical Methods: >99.0%
162148-17-6 / (4R)-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
Basic Information
CAS
162148-17-6
Multi CAS
No
Molecular Formula
C9H12N2O4S
Molecular Weight
244.270000
Exact Mass
244.051778
SMILES
C1CC(=O)N[C@H]1C(=O)N2CSC[C@H]2C(=O)O
InChI
InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6+/m1/s1
InChIKey
UUTKICFRNVKFRG-RITPCOANSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.76
TPSA
86.71
LogP / Solubility
WLOGP
-0.75
MLOGP
-0.65
XLogP3
-0.7
Consensus LogP
-0.7
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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