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CAS 91819-11-3 AMINO-(3,4-DIMETHOXY-PHENYL)-ACETIC ACID molecular structure lightbox
CAS RN: 91819-11-3

AMINO-(3,4-DIMETHOXY-PHENYL)-ACETIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250909 100mg In stock Shanghai Inquiry
Batchno.20260119 1g In stock Shanghai Inquiry
Batchno.20251104 250mg In stock Shanghai Inquiry
Batchno.20250704 5g In stock Shanghai Inquiry
  • Product code: SSC-205263
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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: 0.25g, 1g, 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 91819-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 5 In Stock Shanghai Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
5g ≥97% 1 In Stock Beijing Inquiry

91819-11-3 / 2-amino-2-(3,4-dimethoxyphenyl)acetic acid

Standard CAS: 91819-11-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91819-11-3
Multi CAS
No
Molecular Formula
C10H13NO4
Molecular Weight
211.210000
Exact Mass
211.084458
InChI
InChI=1S/C10H13NO4/c1-14-7-4-3-6(5-8(7)15-2)9(11)10(12)13/h3-5,9H,11H2,1-2H3,(H,12,13)
InChIKey
HVFSBZGHEZRVGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.11
TPSA
81.78

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
-1.8
Consensus LogP
-0.11
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-3.45

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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