[email protected]
CAS 128740-03-4 ETHYL ALLYLFORMYLMETHYLCARBAMATE molecular structure lightbox
CAS RN: 128740-03-4

ETHYL ALLYLFORMYLMETHYLCARBAMATE

  • Product code: SSC-035935
GET A QUOTE
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: 1g, 0.25g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 128740-03-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

128740-03-4 / ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate

Standard CAS: 128740-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128740-03-4
Multi CAS
No
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
SMILES
CCOC(=O)N(CC=C)CC=O
InChI
InChI=1S/C8H13NO3/c1-3-5-9(6-7-10)8(11)12-4-2/h3,7H,1,4-6H2,2H3
InChIKey
IQQODTFRDRREIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
44.86
TPSA
46.61

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.7
Consensus LogP
0.75
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us