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CAS 57508-48-2 3-Amino-3-iminopropanoic acid ethyl ester hydrochloride molecular structure lightbox
CAS RN: 57508-48-2

3-Amino-3-iminopropanoic acid ethyl ester hydrochloride

  • Product code: SSC-165680
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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, 5g, 10g, 25g, 100g, 500g
  • 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 57508-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 3 In Stock Beijing Inquiry
500g >95% 0 Out of Stock Shanghai Inquiry

57508-48-2 / ethyl 3,3-diaminoprop-2-enoate;hydrochloride

Standard CAS: 57508-48-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57508-48-2
Multi CAS
Yes
Molecular Formula
C5H11CLN2O2
Molecular Weight
166.600000
Exact Mass
166.050905
InChI
InChI=1S/C5H10N2O2.ClH/c1-2-9-5(8)3-4(6)7;/h2-3H2,1H3,(H3,6,7);1H
InChIKey
VOHFLYOSVGWQOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.34
TPSA
78.34

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.24
XLogP3
-0.27
Consensus LogP
-0.26
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very 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)
-3.93

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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