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CAS 51552-86-4 3-[(4-Carboxyphenyl)amino]propanoic acid molecular structure lightbox
CAS RN: 51552-86-4

3-[(4-Carboxyphenyl)amino]propanoic acid

  • Product code: SSC-158451
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 51552-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry
25g ≥95% 2 In Stock Shanghai Inquiry

51552-86-4 / 4-(2-carboxyethylamino)benzoic acid

Standard CAS: 51552-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51552-86-4
Multi CAS
No
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
InChI
InChI=1S/C10H11NO4/c12-9(13)5-6-11-8-3-1-7(2-4-8)10(14)15/h1-4,11H,5-6H2,(H,12,13)(H,14,15)
InChIKey
HTHYQFCJTZRJIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
54.14
TPSA
86.63

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.5
Consensus LogP
1.3
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-3.09

Drug-likeness / Medicinal Chemistry

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

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