CAS 139122-78-4 3-METHOXYCARBONYL-2,4-DIOXOPIPERIDINE-NA-SALT molecular structure

lightbox

CAS RN: 139122-78-4

3-METHOXYCARBONYL-2,4-DIOXOPIPERIDINE-NA-SALT

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250819	100mg	Out of stock	8-10 business days	Inquiry

Product code: SSC-049335

GET A QUOTE

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: >95%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry

Request Bulk Quote

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 139122-78-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	>95%	0 Out of Stock	Shanghai	Inquiry

139122-78-4 / sodium methyl 2,4-dioxopiperidin-1-ide-3-carboxylate

Standard CAS: 139122-78-4 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

139122-78-4

Multi CAS

Molecular Formula

C7H8NNaO4

Molecular Weight

193.130000

Exact Mass

193.035102

SMILES

COC(=O)C1C(=O)CC[N-]C1=O.[Na+]

InChI

InChI=1S/C7H9NO4.Na/c1-12-7(11)5-4(9)2-3-8-6(5)10;/h5H,2-3H2,1H3,(H,8,10);/q;+1/p-1

InChIKey

DDRNHSMNCKFPEI-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.57

Rotatable bonds

H-bond acceptors

Molar refractivity

38.36

TPSA

74.54

LogP / Solubility

WLOGP

-3.35

MLOGP

-2.95

XLogP3

-3.35

Consensus LogP

-3.22

Log S (ESOL)

1.14

Class (ESOL)

Highly soluble

Log S (Ali)

1.27

Class (Ali)

Highly soluble

Log S (SILICOS-IT)

1.74

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)

-6.27

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P264+P265, P280, P305+P351+P338, and P337+P317