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CAS 15419-94-0 2-Hydroxy-4-acryloyloxybenzophenone molecular structure lightbox
CAS RN: 15419-94-0

2-Hydroxy-4-acryloyloxybenzophenone

  • Product code: SSC-063558
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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 15419-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

15419-94-0 / (4-benzoyl-3-hydroxyphenyl) prop-2-enoate

Standard CAS: 15419-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15419-94-0
Multi CAS
No
Molecular Formula
C16H12O4
Molecular Weight
268.260000
Exact Mass
268.073559
SMILES
C=CC(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C16H12O4/c1-2-15(18)20-12-8-9-13(14(17)10-12)16(19)11-6-4-3-5-7-11/h2-10,17H,1H2
InChIKey
LJWQJECMFUGUDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.81
TPSA
63.6

LogP / Solubility

WLOGP
2.71
MLOGP
2.4
XLogP3
3.8
Consensus LogP
2.97
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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