CAS RN: 1202769-93-4
3-Ethynyl-3-Hydroxy-1-Methylpyrrolidin-2-One
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250817 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-021133
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1202769-93-4 / 3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one
3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one | MFCD28361627 | 3-Ethynyl-3-hydroxy-1-methyl-2-pyrrolidinone
Basic Information
CAS
1202769-93-4
Multi CAS
No
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
SMILES
CN1CCC(C1=O)(C#C)O
InChI
InChI=1S/C7H9NO2/c1-3-7(10)4-5-8(2)6(7)9/h1,10H,4-5H2,2H3
InChIKey
RKJOSOCBDGSTIJ-UHFFFAOYSA-N
Synonyms
3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one
MFCD28361627
3-Ethynyl-3-hydroxy-1-methyl-2-pyrrolidinone
SCHEMBL11970446
RKJOSOCBDGSTIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.04
TPSA
40.54
LogP / Solubility
WLOGP
-0.79
MLOGP
-0.7
XLogP3
-0.7
Consensus LogP
-0.73
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly 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)
-4.13
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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