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CAS 55301-58-1 2-HYDROXY-3-(4-METHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 55301-58-1

2-HYDROXY-3-(4-METHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER

  • Product code: SSC-163168
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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 55301-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

55301-58-1 / methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate

Standard CAS: 55301-58-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55301-58-1
Multi CAS
Yes
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
InChI
InChI=1S/C12H16O4/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3
InChIKey
DRMAXCVIVGDCGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.72
TPSA
55.76

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
1.4
Consensus LogP
0.95
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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