![CAS 501697-80-9 3′,4′-DICHLORO[1,1′-BIPHENYL]-4-SULFONYL CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/501697-80-9.gif)
CAS RN: 501697-80-9
3′,4′-DICHLORO[1,1′-BIPHENYL]-4-SULFONYL CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250929 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS501697-80-9
- Purity/Analytical Methods: >99.0%
501697-80-9 / 4-(3,4-dichlorophenyl)benzenesulfonyl chloride
Basic Information
CAS
501697-80-9
Multi CAS
No
Molecular Formula
C12H7CL3O2S
Molecular Weight
321.600000
Exact Mass
319.923234
InChI
InChI=1S/C12H7Cl3O2S/c13-11-6-3-9(7-12(11)14)8-1-4-10(5-2-8)18(15,16)17/h1-7H
InChIKey
DHVBZUPMGVOIOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
74.94
TPSA
34.14
LogP / Solubility
WLOGP
4.59
MLOGP
4.05
XLogP3
5.3
Consensus LogP
4.65
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42
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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