[email protected]
CAS 1187-34-4 ETHYL N-(2-CYANO-3-ETHOXYACRYLOYL)CARBAMATE molecular structure lightbox
CAS RN: 1187-34-4

ETHYL N-(2-CYANO-3-ETHOXYACRYLOYL)CARBAMATE

  • Product code: SSC-018613
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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1187-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

1187-34-4 / ethyl N-[(E)-2-cyano-3-ethoxyprop-2-enoyl]carbamate

ethyl N-[2-cyano-2-(ethoxymethylidene)acetyl]carbamate | ethyl N-(2-cyano-3-ethoxyacryloyl)carbamate | SCHEMBL3571517

Standard CAS: 1187-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187-34-4
Multi CAS
Yes
Molecular Formula
C9H12N2O4
Molecular Weight
212.200000
Exact Mass
212.079707
SMILES
CCO/C=C(\C#N)/C(=O)NC(=O)OCC
InChI
InChI=1S/C9H12N2O4/c1-3-14-6-7(5-10)8(12)11-9(13)15-4-2/h6H,3-4H2,1-2H3,(H,11,12,13)/b7-6+
InChIKey
JNZGHWBZWCEXEJ-VOTSOKGWSA-N
Synonyms
ethyl N-[2-cyano-2-(ethoxymethylidene)acetyl]carbamate ethyl N-(2-cyano-3-ethoxyacryloyl)carbamate SCHEMBL3571517 JNZGHWBZWCEXEJ-UHFFFAOYSA-N LHA38787

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.49
TPSA
88.42

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
0.6
Consensus LogP
0.64
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us