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CAS 152942-06-8 ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate molecular structure lightbox
CAS RN: 152942-06-8

ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 1g In stock Inquiry
Batchno.20250803 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-062583
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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: 0.25g, 1g, 5g
  • Available purity: ≥97%
  • 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 152942-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 5 In Stock Shanghai Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 3 In Stock Beijing Inquiry

152942-06-8 / ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate

Standard CAS: 152942-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152942-06-8
Multi CAS
No
Molecular Formula
C13H16O5
Molecular Weight
252.260000
Exact Mass
252.099774
SMILES
CCOC(=O)CCCOC1=CC(=C(C=C1)C=O)O
InChI
InChI=1S/C13H16O5/c1-2-17-13(16)4-3-7-18-11-6-5-10(9-14)12(15)8-11/h5-6,8-9,15H,2-4,7H2,1H3
InChIKey
QVNCWTDCVZRKAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.86
TPSA
72.83

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
2.1
Consensus LogP
1.91
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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
Yes
Synthetic Accessibility
1.5

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