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CAS 490-64-2 2,4,5-Trimethoxybenzoic Acid molecular structure lightbox
CAS RN: 490-64-2

2,4,5-Trimethoxybenzoic Acid

  • Product code: SSC-155498
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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: 25g, 5g, 10g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 490-64-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Beijing Inquiry
10g >97% 1 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

490-64-2 / 2,4,5-trimethoxybenzoic acid

Standard CAS: 490-64-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
490-64-2
Multi CAS
Yes
Molecular Formula
C10H12O5
Molecular Weight
212.200000
Exact Mass
212.068473
InChI
InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChIKey
KVZUCOGWKYOPID-UHFFFAOYSA-N

Physical Properties

Physical Description
Fine white crystalline powder
State
Solid

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
1
Molar refractivity
53.06
TPSA
64.99

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately 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)
-3.01

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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