CAS RN: 59857-86-2
1-Methyl-5-oxo-3-pyrrolidinecarboxylic acid methyl ester
- Product code: SSC-168428
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 3 In Stock | Shanghai | Inquiry |
| 100g | >97% | 3 In Stock | Beijing | Inquiry |
59857-86-2 / methyl 1-methyl-5-oxopyrrolidine-3-carboxylate
Basic Information
CAS
59857-86-2
Multi CAS
Yes
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
InChI
InChI=1S/C7H11NO3/c1-8-4-5(3-6(8)9)7(10)11-2/h5H,3-4H2,1-2H3
InChIKey
JFZRRXGXEHUJCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.76
TPSA
46.61
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.7
Consensus LogP
-0.46
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very 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)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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