![CAS 20443-74-7 4′-CHLORO[1,1′-BIPHENYL]-4-SULFONYL CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20443-74-7.gif)
CAS RN: 20443-74-7
4′-CHLORO[1,1′-BIPHENYL]-4-SULFONYL CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260630 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS20443-74-7
- Purity/Analytical Methods: >99.0%
20443-74-7 / 4-(4-chlorophenyl)benzenesulfonyl chloride
Basic Information
CAS
20443-74-7
Multi CAS
No
Molecular Formula
C12H8Cl2O2S
Molecular Weight
287.200000
Exact Mass
285.962206
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C12H8Cl2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H
InChIKey
NWYUSJMIHFIMTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
69.93
TPSA
34.14
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
5
Consensus LogP
4.13
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
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)
-1.68
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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