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CAS 51264-70-1 4-FORMYL-2-METHOXY-PHENOXY-ACETIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 51264-70-1

4-FORMYL-2-METHOXY-PHENOXY-ACETIC ACID ETHYL ESTER

  • Product code: SSC-158085
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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 51264-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

51264-70-1 / (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid

Standard CAS: 51264-70-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
51264-70-1
Multi CAS
Yes
Molecular Formula
C12H14O5
Molecular Weight
238.240000
Exact Mass
238.084124
InChI
InChI=1S/C12H14O5/c1-3-16-12(14)8-17-10-5-4-9(7-13)6-11(10)15-2/h4-7H,3,8H2,1-2H3
InChIKey
SVYWLZTVBMJCGG-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.77
TPSA
64.99

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1.7
Consensus LogP
1.7
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
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)
-2.89

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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