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CAS 109463-48-1 (E)-Ethyl Stilbene-4-carboxylate molecular structure lightbox
CAS RN: 109463-48-1

(E)-Ethyl Stilbene-4-carboxylate

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260518 1g In stock Inquiry
Batchno.20260627 250mg In stock Inquiry
Batchno.20260320 5g In stock Inquiry
  • Product code: SSC-010844
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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: ≥98%
  • 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 109463-48-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

109463-48-1 / ethyl 4-[(E)-2-phenylethenyl]benzoate

ethyl 4-(2-phenylethenyl)benzoate | ethyl 4-styrylbenzoate | 4-(Ethoxycarbonyl)stilbene

Standard CAS: 109463-48-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109463-48-1
Multi CAS
Yes
Molecular Formula
C17H16O2
Molecular Weight
252.310000
Exact Mass
252.115030
SMILES
CCOC(=O)C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H16O2/c1-2-19-17(18)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+
InChIKey
RBQGAPDZGPQIDL-CMDGGOBGSA-N
Synonyms
ethyl 4-(2-phenylethenyl)benzoate ethyl 4-styrylbenzoate 4-(Ethoxycarbonyl)stilbene SCHEMBL9953407 Stilbene-4-carboxylic Acid Ethyl Ester

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
77.77
TPSA
26.3

LogP / Solubility

WLOGP
4.03
MLOGP
3.56
XLogP3
4.9
Consensus LogP
4.16
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

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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