[email protected]
CAS 498583-09-8 (E)-Ethyl 3-aMino-4,4,4-trifluorocrotonate molecular structure lightbox
CAS RN: 498583-09-8

(E)-Ethyl 3-aMino-4,4,4-trifluorocrotonate

  • Product code: SSC-156156
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: 5g, 1000g
  • Available purity: ≥97%
  • 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 498583-09-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 1 In Stock Shenzhen Inquiry
5g ≥97% 1 In Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Shanghai Inquiry

498583-09-8 / ethyl 3-amino-4,4,4-trifluorobut-2-enoate

Standard CAS: 498583-09-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
498583-09-8
Multi CAS
Yes
Molecular Formula
C6F3H8NO2
Molecular Weight
183.130000
Exact Mass
183.050713
InChI
InChI=1S/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3/b4-3+
InChIKey
NXVKRKUGIINGHD-ONEGZZNKSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.96
TPSA
52.32

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
1.5
Consensus LogP
1.1
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-3.16

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