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CAS 876716-43-7 1-CYCLOPROPYL-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 876716-43-7

1-CYCLOPROPYL-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID

  • Product code: SSC-197871
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 876716-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g >95% 0 Out of Stock Beijing Inquiry

876716-43-7 / 1-cyclopropyl-5-oxopyrrolidine-3-carboxylic acid

Standard CAS: 876716-43-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
876716-43-7
Multi CAS
Yes
Molecular Formula
C8H11NO3
Molecular Weight
169.180000
Exact Mass
169.073893
InChI
InChI=1S/C8H11NO3/c10-7-3-5(8(11)12)4-9(7)6-1-2-6/h5-6H,1-4H2,(H,11,12)
InChIKey
AJVZAQNEJHXULB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.48
TPSA
57.61

LogP / Solubility

WLOGP
0.08
MLOGP
0.07
XLogP3
-0.5
Consensus LogP
-0.12
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
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)
-3.69

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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