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CAS 1141669-81-9 1-(2,4-Diethoxyphenyl)ethanol molecular structure lightbox
CAS RN: 1141669-81-9

1-(2,4-Diethoxyphenyl)ethanol

  • Product code: SSC-014043
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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, 5g, 0.1g, 0.25g, 25g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 1141669-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
25g ≥95% 2 In Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

1141669-81-9 / 1-(2,4-diethoxyphenyl)ethanol

1-(2,4-DIETHOXYPHENYL)ETHANOL | MFCD12198840 | Benzenemethanol, 2,4-diethoxy-alpha-methyl-

Standard CAS: 1141669-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1141669-81-9
Multi CAS
No
Molecular Formula
C12H18O3
Molecular Weight
210.270000
Exact Mass
210.125594
SMILES
CCOC1=CC(=C(C=C1)C(C)O)OCC
InChI
InChI=1S/C12H18O3/c1-4-14-10-6-7-11(9(3)13)12(8-10)15-5-2/h6-9,13H,4-5H2,1-3H3
InChIKey
HLEWKJICLMIORG-UHFFFAOYSA-N
Synonyms
1-(2,4-DIETHOXYPHENYL)ETHANOL MFCD12198840 Benzenemethanol, 2,4-diethoxy-alpha-methyl- 1-(24-Diethoxyphenyl)ethanol 1-(2,4-Diethoxyphenyl)ethan-1-ol

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.41
TPSA
38.69

LogP / Solubility

WLOGP
2.54
MLOGP
2.23
XLogP3
2.1
Consensus LogP
2.29
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.2

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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