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CAS 21205-05-0 3-(Methylsulfonyl)benzophenone molecular structure lightbox
CAS RN: 21205-05-0

3-(Methylsulfonyl)benzophenone

  • Product code: SSC-101275
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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: 1g, 5g, 0.1g, 0.25g
  • 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 21205-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry

21205-05-0 / (3-methylsulfonylphenyl)-phenylmethanone

Standard CAS: 21205-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21205-05-0
Multi CAS
No
Molecular Formula
C14H12O3S
Molecular Weight
260.310000
Exact Mass
260.050715
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O3S/c1-18(16,17)13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-10H,1H3
InChIKey
OMFWZKUKFTYSPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
69.43
TPSA
51.21

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.6
Consensus LogP
2.32
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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