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CAS 705240-99-9 2-(4-aMino-3-Methylphenyl)acetic acid molecular structure lightbox
CAS RN: 705240-99-9

2-(4-aMino-3-Methylphenyl)acetic acid

  • Product code: SSC-180295
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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, 0.25g, 0.1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 705240-99-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 4 In Stock Hong Kong Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

705240-99-9 / 2-(4-amino-3-methylphenyl)acetic acid

Standard CAS: 705240-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
705240-99-9
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c1-6-4-7(5-9(11)12)2-3-8(6)10/h2-4H,5,10H2,1H3,(H,11,12)
InChIKey
LTCIAYCHYFURKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.93
TPSA
63.32

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
0.8
Consensus LogP
1.02
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.87

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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