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CAS 61292-27-1 1-(4-[(2,4-DICHLOROBENZYL)OXY]PHENYL)-1-ETHANONE molecular structure lightbox
CAS RN: 61292-27-1

1-(4-[(2,4-DICHLOROBENZYL)OXY]PHENYL)-1-ETHANONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 500mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS61292-27-1
  • Purity/Analytical Methods: >99.0%
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61292-27-1 / 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethanone

Standard CAS: 61292-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61292-27-1
Multi CAS
No
Molecular Formula
C15H12CL2O2
Molecular Weight
295.200000
Exact Mass
294.021435
InChI
InChI=1S/C15H12Cl2O2/c1-10(18)11-3-6-14(7-4-11)19-9-12-2-5-13(16)8-15(12)17/h2-8H,9H2,1H3
InChIKey
SJGSBISIYWRANO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
77.24
TPSA
26.3

LogP / Solubility

WLOGP
4.78
MLOGP
4.21
XLogP3
4.6
Consensus LogP
4.53
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

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)
-1.13

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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