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CAS 15399-05-0 ethyl 2-hydroxy-3-phenylpropanoate molecular structure lightbox
CAS RN: 15399-05-0

ethyl 2-hydroxy-3-phenylpropanoate

  • Product code: SSC-063354
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 15399-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

15399-05-0 / ethyl 2-hydroxy-3-phenylpropanoate

Standard CAS: 15399-05-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
15399-05-0
Multi CAS
No
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
SMILES
CCOC(=O)C(CC1=CC=CC=C1)O
InChI
InChI=1S/C11H14O3/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKey
HBOGUIFRIAXYNB-UHFFFAOYSA-N

Physical Properties

Density
1.092-1.102
Physical Description
Colourless to pale yellow clear liquid / Black pepper like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.79
TPSA
46.53

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
2
Consensus LogP
1.39
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
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)
-3.09

Drug-likeness / Medicinal Chemistry

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

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