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CAS 1220-92-4 1-Nitro-2-tosylbenzene molecular structure lightbox
CAS RN: 1220-92-4

1-Nitro-2-tosylbenzene

  • Product code: SSC-024916
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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 1220-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

1220-92-4 / 1-(4-methylphenyl)sulfonyl-2-nitrobenzene

Standard CAS: 1220-92-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1220-92-4
Multi CAS
No
Molecular Formula
C13H11NO4S
Molecular Weight
277.300000
Exact Mass
277.040879
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C13H11NO4S/c1-10-6-8-11(9-7-10)19(17,18)13-5-3-2-4-12(13)14(15)16/h2-9H,1H3
InChIKey
JPGVTAXHQBLUJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
69.73
TPSA
77.28

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.9
Consensus LogP
2.69
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly 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)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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