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CAS 35258-39-0 2-(p-Methoxyphenyl)butyrophenone molecular structure lightbox
CAS RN: 35258-39-0

2-(p-Methoxyphenyl)butyrophenone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35258-39-0
  • Purity/Analytical Methods: >99.0%
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35258-39-0 / 2-(4-methoxyphenyl)-1-phenylbutan-1-one

Standard CAS: 35258-39-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35258-39-0
Multi CAS
Yes
Molecular Formula
C17H18O2
Molecular Weight
254.320000
Exact Mass
254.130680
InChI
InChI=1S/C17H18O2/c1-3-16(13-9-11-15(19-2)12-10-13)17(18)14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3
InChIKey
DAAYJBQDRCKIAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
76.8
TPSA
26.3

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
4.1
Consensus LogP
3.92
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble

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)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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