CAS 14466-21-8 5-Oxo-pyrrolidine-3-carboxylic acid amide molecular structure

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CAS RN: 14466-21-8

5-Oxo-pyrrolidine-3-carboxylic acid amide

Product code: SSC-055924

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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

Pack sizes on record: 5g
Available purity: ＞97%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry

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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 14466-21-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	＞97%	0 Out of Stock	Shanghai	Inquiry

14466-21-8 / 5-oxopyrrolidine-3-carboxamide

Standard CAS: 14466-21-8 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

14466-21-8

Multi CAS

Molecular Formula

C5H8N2O2

Molecular Weight

128.130000

Exact Mass

128.058578

SMILES

C1C(CNC1=O)C(=O)N

InChI

InChI=1S/C5H8N2O2/c6-5(9)3-1-4(8)7-2-3/h3H,1-2H2,(H2,6,9)(H,7,8)

InChIKey

BJSCOTHGFJMOOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.6

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

30.31

TPSA

72.19

LogP / Solubility

WLOGP

-1.39

MLOGP

-1.23

XLogP3

-1.9

Consensus LogP

-1.51

Log S (ESOL)

0.31

Class (ESOL)

Highly soluble

Log S (Ali)

0.39

Class (Ali)

Highly soluble

Log S (SILICOS-IT)

0.54

Class (SILICOS-IT)

Highly soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.49

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501