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CAS 85475-84-9 2-[3-(BENZYLOXY)-4-ETHOXYPHENYL]ACETIC ACID molecular structure lightbox
CAS RN: 85475-84-9

2-[3-(BENZYLOXY)-4-ETHOXYPHENYL]ACETIC ACID

  • Product code: SSC-193884
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 85475-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

85475-84-9 / 2-(4-ethoxy-3-phenylmethoxyphenyl)acetic acid

Standard CAS: 85475-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85475-84-9
Multi CAS
No
Molecular Formula
C17H18O4
Molecular Weight
286.320000
Exact Mass
286.120509
InChI
InChI=1S/C17H18O4/c1-2-20-15-9-8-14(11-17(18)19)10-16(15)21-12-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKey
OUWYQMVFJMJAJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.72
TPSA
55.76

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
3
Consensus LogP
3.07
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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