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CAS 324579-78-4 3-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-ACRYLIC ACID molecular structure lightbox
CAS RN: 324579-78-4

3-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-ACRYLIC ACID

  • Product code: SSC-138053
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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 324579-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

324579-78-4 / 3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid

Standard CAS: 324579-78-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
324579-78-4
Multi CAS
Yes
Molecular Formula
C11F2H10O4
Molecular Weight
244.190000
Exact Mass
244.054715
InChI
InChI=1S/C11H10F2O4/c1-16-9-6-7(3-5-10(14)15)2-4-8(9)17-11(12)13/h2-6,11H,1H3,(H,14,15)/b5-3+
InChIKey
WLTUXAUWAGSABF-HWKANZROSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.3
TPSA
55.76

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.8
Consensus LogP
2.43
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.51

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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