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CAS 32022-22-3 (2E)-3-(4-ISOPROPOXY-3-METHOXYPHENYL)ACRYLIC ACID molecular structure lightbox
CAS RN: 32022-22-3

(2E)-3-(4-ISOPROPOXY-3-METHOXYPHENYL)ACRYLIC ACID

  • Product code: SSC-137493
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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: 0.25g
  • 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 32022-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

32022-22-3 / 3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid

Standard CAS: 32022-22-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32022-22-3
Multi CAS
Yes
Molecular Formula
C13H16O4
Molecular Weight
236.260000
Exact Mass
236.104859
InChI
InChI=1S/C13H16O4/c1-9(2)17-11-6-4-10(5-7-13(14)15)8-12(11)16-3/h4-9H,1-3H3,(H,14,15)/b7-5+
InChIKey
HCIFIHNJOLFAAX-FNORWQNLSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.43
TPSA
55.76

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.6
Consensus LogP
2.48
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.33

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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