CAS RN: 2165706-30-7
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Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260609 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250921 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250605 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251024 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250901 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250710 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2165706-30-7
- Purity/Analytical Methods: >99.0%
2165706-30-7 / (4R)-2-oxo-N-prop-2-ynyl-1,3-thiazolidine-4-carboxamide
Basic Information
CAS
2165706-30-7
Multi CAS
No
Molecular Formula
C7H8N2O2S
Molecular Weight
184.220000
Exact Mass
184.030649
SMILES
C#CCNC(=O)[C@@H]1CSC(=O)N1
InChI
InChI=1S/C7H8N2O2S/c1-2-3-8-6(10)5-4-12-7(11)9-5/h1,5H,3-4H2,(H,8,10)(H,9,11)/t5-/m0/s1
InChIKey
MWEQVHWJNCRXGP-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.62
TPSA
58.2
LogP / Solubility
WLOGP
-0.44
MLOGP
-0.39
XLogP3
-0.2
Consensus LogP
-0.34
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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