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CAS 174283-18-2 D-Proline, 2-(hydroxymethyl)-5-oxo-, methyl ester (9CI) molecular structure lightbox
CAS RN: 174283-18-2

D-Proline, 2-(hydroxymethyl)-5-oxo-, methyl ester (9CI)

  • Product code: SSC-076471
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 174283-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

174283-18-2 / methyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate

Standard CAS: 174283-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174283-18-2
Multi CAS
No
Molecular Formula
C7H11NO4
Molecular Weight
173.170000
Exact Mass
173.068808
SMILES
COC(=O)[C@]1(CCC(=O)N1)CO
InChI
InChI=1S/C7H11NO4/c1-12-6(11)7(4-9)3-2-5(10)8-7/h9H,2-4H2,1H3,(H,8,10)/t7-/m0/s1
InChIKey
XGWMCXYFZJOJEJ-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.21
TPSA
75.63

LogP / Solubility

WLOGP
-1.2
MLOGP
-1.06
XLogP3
-1.3
Consensus LogP
-1.19
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.03
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.63

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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