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CAS 160233-27-2 5-ISOXAZOL-3-YLTHIOPHENE-2-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 160233-27-2

5-ISOXAZOL-3-YLTHIOPHENE-2-SULFONYL CHLORIDE

  • Product code: SSC-068218
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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: 0.05g, 0.1g, 0.25g, 1g
  • 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 160233-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Beijing Inquiry

160233-27-2 / 5-(1,2-oxazol-3-yl)thiophene-2-sulfonyl chloride

Standard CAS: 160233-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160233-27-2
Multi CAS
No
Molecular Formula
C7H4ClNO3S2
Molecular Weight
249.700000
Exact Mass
248.932113
SMILES
C1=CON=C1C2=CC=C(S2)S(=O)(=O)Cl
InChI
InChI=1S/C7H4ClNO3S2/c8-14(10,11)7-2-1-6(13-7)5-3-4-12-9-5/h1-4H
InChIKey
XDOOPXTYGCQGOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
52.85
TPSA
60.17

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.59

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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