CAS RN: 199917-42-5
N-METHYL-L-PROLINE MONOHYDRATE 98
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250404 | 250mg / 1g / 5g / 100g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: SSC-094123
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: 1g, 5g
- Available purity: ≥96%
- Inventory rows with stock: 2
- 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.
199917-42-5 / (2S)-1-methylpyrrolidine-2-carboxylic acid;hydrate
Basic Information
CAS
199917-42-5
Multi CAS
No
Molecular Formula
C6H13NO3
Molecular Weight
147.170000
Exact Mass
147.089543
SMILES
CN1CCC[C@H]1C(=O)O.O
InChI
InChI=1S/C6H11NO2.H2O/c1-7-4-2-3-5(7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H2/t5-;/m0./s1
InChIKey
IXBKFJZWNAVSHW-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.9
TPSA
72.04
LogP / Solubility
WLOGP
-0.66
MLOGP
-0.59
XLogP3
-0.66
Consensus LogP
-0.64
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
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)
-4.09
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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