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CAS 2006277-31-0 4-(4-Fluorophenyl)-1-(p-tolyl)-1-butanone molecular structure lightbox
CAS RN: 2006277-31-0

4-(4-Fluorophenyl)-1-(p-tolyl)-1-butanone

  • Product code: SSC-094482
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2006277-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry

2006277-31-0 / 4-(4-fluorophenyl)-1-(4-methylphenyl)butan-1-one

Standard CAS: 2006277-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006277-31-0
Multi CAS
No
Molecular Formula
C17H17FO
Molecular Weight
256.310000
Exact Mass
256.126343
SMILES
CC1=CC=C(C=C1)C(=O)CCCC2=CC=C(C=C2)F
InChI
InChI=1S/C17H17FO/c1-13-5-9-15(10-6-13)17(19)4-2-3-14-7-11-16(18)12-8-14/h5-12H,2-4H2,1H3
InChIKey
KSWOXBSUNXKQSF-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
1
Molar refractivity
74.85
TPSA
17.07

LogP / Solubility

WLOGP
4.34
MLOGP
3.83
XLogP3
4.3
Consensus LogP
4.16
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
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)
-1.2

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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