CAS 2318-25-4 Ethyl 3-ethoxy-3-iminopropionate hydrochloride molecular structure

lightbox

CAS RN: 2318-25-4

Ethyl 3-ethoxy-3-iminopropionate hydrochloride

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20250419	100g	In stock	Inquiry
Batchno.20250515	25g	In stock	Inquiry
Batchno.20250626	500g	In stock	Inquiry
Batchno.20250227	5g	In stock	Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250531	1g / 5g / 25g / 100g / 250g / 500g / 1kg / 2.5kg	Confirm by inquiry	Shandong, Shanghai, Chongqing	8-10 business days	Inquiry

Product code: starshine_CAS2318-25-4
Purity/Analytical Methods: >99.0%

GET A QUOTE

2318-25-4 / ethyl 3-ethoxy-3-iminopropanoate;hydrochloride

Standard CAS: 2318-25-4 Multi CAS: No

Basic Information Physical Properties Computed Properties

Basic Information

CAS

2318-25-4

Multi CAS

Molecular Formula

C7H14ClNO3

Molecular Weight

195.640000

Exact Mass

195.066221

SMILES

CCOC(=N)CC(=O)OCC.Cl

InChI

InChI=1S/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h8H,3-5H2,1-2H3;1H

InChIKey

HYMXUYQKXCHWDC-UHFFFAOYSA-N

Physical Properties

Physical Description

Water or Solvent Wet Solid

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.71

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

47.85

TPSA

59.38

LogP / Solubility

WLOGP

1.38

MLOGP

1.21

XLogP3

1.38

Consensus LogP

1.32

Log S (ESOL)

-1.66

Class (ESOL)

Soluble

Log S (Ali)

-2.16

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.55

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.94

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Ethyl 3-ethoxy-3-iminopropionate hydrochloride

Product Availability

2318-25-4 / ethyl 3-ethoxy-3-iminopropanoate;hydrochloride

Basic Information

Physical Properties

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

Customers Also Viewed

N,N-Dimethyl-2-(trimethylsilyl)acetamide

(1H-IMIDAZOL-2-YL)-ACETONITRILE

4-Chloro Cathinone Hydrochloride

N-Hydroxy-4-methylbenzamide

(1S,2S)-(-)-2-AMINO-1,2-DIPHENYLETHANOL

3-AMINO-2-QUINOXALINECARBONITRILE 1,4-DIOXIDE

Get In Touch