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CAS 694443-80-6 4′-(4-BROMOBENZYLOXY)ACETOPHENONE molecular structure lightbox
CAS RN: 694443-80-6

4′-(4-BROMOBENZYLOXY)ACETOPHENONE

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260103 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS694443-80-6
  • Purity/Analytical Methods: >99.0%
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694443-80-6 / 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone

Standard CAS: 694443-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
694443-80-6
Multi CAS
No
Molecular Formula
C15H13BRO2
Molecular Weight
305.170000
Exact Mass
304.009890
InChI
InChI=1S/C15H13BrO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
InChIKey
UNFAYODHYINMBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
74.92
TPSA
26.3

LogP / Solubility

WLOGP
4.23
MLOGP
3.74
XLogP3
3.8
Consensus LogP
3.92
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

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)
-1.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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