[email protected]
CAS 1217447-61-4 N-Methyl-D-proline Monohydrate molecular structure lightbox
CAS RN: 1217447-61-4

N-Methyl-D-proline Monohydrate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-024375
GET A QUOTE
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: 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1217447-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1217447-61-4 / (2R)-1-methylpyrrolidine-2-carboxylic acid;hydrate

Standard CAS: 1217447-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217447-61-4
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-;/m1./s1
InChIKey
IXBKFJZWNAVSHW-NUBCRITNSA-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

Customers Also Viewed

Get In Touch

Contact Us