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
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
32741-98-3 / 2-(5-oxopyrrolidin-3-yl)acetic acid
Basic Information
CAS
32741-98-3
Multi CAS
No
Molecular Formula
C6H9NO3
Molecular Weight
143.140000
Exact Mass
143.058243
InChI
InChI=1S/C6H9NO3/c8-5-1-4(3-7-5)2-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKey
YKTYYHBGRGVBPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.37
TPSA
66.4
LogP / Solubility
WLOGP
-0.4
MLOGP
-0.36
XLogP3
-1
Consensus LogP
-0.59
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-3.88
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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