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CAS 86521-64-4 2,2-dimethyl-p-ethoxy phenyl acetic acid 2,2-dimethyl-p-ethoxy phenyl acetic acid molecular structure lightbox
CAS RN: 86521-64-4

2,2-dimethyl-p-ethoxy phenyl acetic acid 2,2-dimethyl-p-ethoxy phenyl acetic acid

  • Product code: SSC-195665
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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: 1g
  • 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 86521-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

86521-64-4 / 2-(4-ethoxyphenyl)-2-methylpropanoic acid

Standard CAS: 86521-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86521-64-4
Multi CAS
No
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
InChI
InChI=1S/C12H16O3/c1-4-15-10-7-5-9(6-8-10)12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKey
LDOMMNCPNTZTQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.27
TPSA
46.53

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
2.7
Consensus LogP
2.43
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.25

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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