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CAS 147323-02-2 4-(1-(4-(2-bromoethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol(WXC07440) molecular structure lightbox
CAS RN: 147323-02-2

4-(1-(4-(2-bromoethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol(WXC07440)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251013 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS147323-02-2
  • Purity/Analytical Methods: >99.0%
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147323-02-2 / 4-[(E)-1-[4-(2-bromoethoxy)phenyl]-2-phenylbut-1-enyl]phenol

Standard CAS: 147323-02-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147323-02-2
Multi CAS
No
Molecular Formula
C24H23BrO2
Molecular Weight
423.300000
Exact Mass
422.088140
SMILES
CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCBr)/C3=CC=CC=C3
InChI
InChI=1S/C24H23BrO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17H2,1H3
InChIKey
CJOZMESSODTFHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
116.49
TPSA
29.46

LogP / Solubility

WLOGP
6.54
MLOGP
5.78
XLogP3
7.5
Consensus LogP
6.61
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-7.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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