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CAS 85686-16-4 ((4-Methoxyphenoxy)methylene)dibenzene molecular structure lightbox
CAS RN: 85686-16-4

((4-Methoxyphenoxy)methylene)dibenzene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS85686-16-4
  • Purity/Analytical Methods: >99.0%
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85686-16-4 / 1-benzhydryloxy-4-methoxybenzene

Standard CAS: 85686-16-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85686-16-4
Multi CAS
No
Molecular Formula
C20H18O2
Molecular Weight
290.400000
Exact Mass
290.130680
InChI
InChI=1S/C20H18O2/c1-21-18-12-14-19(15-13-18)22-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3
InChIKey
WZYFNISDZBADQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
88.35
TPSA
18.46

LogP / Solubility

WLOGP
4.86
MLOGP
4.29
XLogP3
5.1
Consensus LogP
4.75
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
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)
-1.04

Drug-likeness / Medicinal Chemistry

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

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