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CAS 94687-10-2 Ethyl 3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate molecular structure lightbox
CAS RN: 94687-10-2

Ethyl 3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate

  • Product code: SSC-209838
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 94687-10-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

94687-10-2 / ethyl 3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate

Standard CAS: 94687-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94687-10-2
Multi CAS
No
Molecular Formula
C20H24O7
Molecular Weight
376.400000
Exact Mass
376.152203
InChI
InChI=1S/C20H24O7/c1-5-26-20(22)19(27-16-9-7-6-8-14(16)23-2)18(21)13-10-11-15(24-3)17(12-13)25-4/h6-12,18-19,21H,5H2,1-4H3
InChIKey
WXFAFGNQMYMUDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
1
Molar refractivity
98.55
TPSA
83.45

LogP / Solubility

WLOGP
2.76
MLOGP
2.45
XLogP3
3
Consensus LogP
2.74
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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