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CAS 870-85-9 Ethyl 3-(methylamino)-2-butenoate molecular structure lightbox
CAS RN: 870-85-9

Ethyl 3-(methylamino)-2-butenoate

  • Product code: SSC-196434
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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, 10g, 25g, 100g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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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 870-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Shanghai Inquiry
100g >95% 2 In Stock Beijing Inquiry
5g >95% 1 In Stock Beijing Inquiry

870-85-9 / ethyl 3-(methylamino)but-2-enoate

Standard CAS: 870-85-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
870-85-9
Multi CAS
Yes
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
InChI
InChI=1S/C7H13NO2/c1-4-10-7(9)5-6(2)8-3/h5,8H,4H2,1-3H3
InChIKey
FARYTWBWLZAXNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.45
TPSA
38.33

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
1.6
Consensus LogP
0.95
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.12

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

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