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CAS 309964-23-6 4-(4-ForMyl-3-Methoxyphenoxy)butanoic Acid molecular structure lightbox
CAS RN: 309964-23-6

4-(4-ForMyl-3-Methoxyphenoxy)butanoic Acid

  • Product code: SSC-136198
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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: 5g, 0.1g, 1g, 0.25g, 10g, 25g
  • Available purity: ≥95%
  • 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 309964-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

309964-23-6 / (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid

Standard CAS: 309964-23-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
309964-23-6
Multi CAS
Yes
Molecular Formula
C12H14O5
Molecular Weight
238.240000
Exact Mass
238.084124
InChI
InChI=1S/C12H14O5/c1-16-11-7-10(5-4-9(11)8-13)17-6-2-3-12(14)15/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKey
RHQAFYIBBWZTOI-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.77
TPSA
64.99

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1.7
Consensus LogP
1.7
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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