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CAS 123912-78-7 2-PYRROLIDIN-1-YL-PROPIONIC ACID molecular structure lightbox
CAS RN: 123912-78-7

2-PYRROLIDIN-1-YL-PROPIONIC ACID

  • Product code: SSC-027541
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 123912-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

123912-78-7 / 2-pyrrolidin-1-ylpropanoic acid

Standard CAS: 123912-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123912-78-7
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CC(C(=O)O)N1CCCC1
InChI
InChI=1S/C7H13NO2/c1-6(7(9)10)8-4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10)
InChIKey
HAEBOIOLDSOIGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.9
TPSA
40.54

LogP / Solubility

WLOGP
0.56
MLOGP
0.48
XLogP3
-1.5
Consensus LogP
-0.15
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
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)
-3.2

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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