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CAS 3886-19-9 2,6-Dibenzyloxyacetophenone molecular structure lightbox
CAS RN: 3886-19-9

2,6-Dibenzyloxyacetophenone

  • Product code: SSC-146469
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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: 5g
  • 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 3886-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

3886-19-9 / 1-[2,6-bis(phenylmethoxy)phenyl]ethanone

Standard CAS: 3886-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3886-19-9
Multi CAS
No
Molecular Formula
C22H20O3
Molecular Weight
332.400000
Exact Mass
332.141245
InChI
InChI=1S/C22H20O3/c1-17(23)22-20(24-15-18-9-4-2-5-10-18)13-8-14-21(22)25-16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3
InChIKey
ZQJARFAIOBJZSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
97.99
TPSA
35.53

LogP / Solubility

WLOGP
5.05
MLOGP
4.46
XLogP3
4.5
Consensus LogP
4.67
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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