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CAS 1342425-67-5 2-Amino-2-(2-chloro-3,4-dimethoxyphenyl)acetic Acid molecular structure lightbox
CAS RN: 1342425-67-5

2-Amino-2-(2-chloro-3,4-dimethoxyphenyl)acetic Acid

  • Product code: SSC-041737
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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, 5g, 10g, 1g, 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 1342425-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
25g ≥95% 2 In Stock Shenzhen Inquiry

1342425-67-5 / 2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetic acid

Standard CAS: 1342425-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1342425-67-5
Multi CAS
No
Molecular Formula
C10H12ClNO4
Molecular Weight
245.660000
Exact Mass
245.045486
SMILES
COC1=C(C(=C(C=C1)C(C(=O)O)N)Cl)OC
InChI
InChI=1S/C10H12ClNO4/c1-15-6-4-3-5(8(12)10(13)14)7(11)9(6)16-2/h3-4,8H,12H2,1-2H3,(H,13,14)
InChIKey
VSMXBLRKRHFBIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.12
TPSA
81.78

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
-1.1
Consensus LogP
0.54
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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