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CAS 2544-06-1 3-Methoxypropionic acid molecular structure lightbox
CAS RN: 2544-06-1

3-Methoxypropionic acid

  • Product code: SSC-121387
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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, 100g, 25g, 500g
  • Available purity: >98%
  • 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 2544-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
100g >98% 3 In Stock Hong Kong Inquiry
25g >98% 1 In Stock Beijing Inquiry
500g >98% 0 Out of Stock Shenzhen Inquiry

2544-06-1 / 3-methoxypropanoic acid

Standard CAS: 2544-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2544-06-1
Multi CAS
No
Molecular Formula
C4H8O3
Molecular Weight
104.100000
Exact Mass
104.047344
SMILES
COCCC(=O)O
InChI
InChI=1S/C4H8O3/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
YSIKHBWUBSFBRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.13
TPSA
46.53

LogP / Solubility

WLOGP
0.11
MLOGP
0.08
XLogP3
-0.4
Consensus LogP
-0.07
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
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)
-3.28

Drug-likeness / Medicinal Chemistry

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

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