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CAS 5953-00-4 (2-chlorophenyl)-(4-methylphenyl)methanone molecular structure lightbox
CAS RN: 5953-00-4

(2-chlorophenyl)-(4-methylphenyl)methanone

  • Product code: SSC-167990
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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 5953-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

5953-00-4 / (2-chlorophenyl)-(4-methylphenyl)methanone

Standard CAS: 5953-00-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5953-00-4
Multi CAS
No
Molecular Formula
C14H11CLO
Molecular Weight
230.690000
Exact Mass
230.049843
InChI
InChI=1S/C14H11ClO/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
InChIKey
WIKUXHHNKRKVGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
66.06
TPSA
17.07

LogP / Solubility

WLOGP
3.88
MLOGP
3.42
XLogP3
4.1
Consensus LogP
3.8
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
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)
-1.37

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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