CAS RN: 6697-96-7
2,6-Dichlorobenzenesulfonicacid
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.20250328 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6697-96-7
- Purity/Analytical Methods: >99.0%
6697-96-7 / 2,6-dichlorobenzenesulfonic acid
Basic Information
CAS
6697-96-7
Multi CAS
Yes
Molecular Formula
C6H4CL2O3S
Molecular Weight
227.060000
Exact Mass
225.925821
InChI
InChI=1S/C6H4Cl2O3S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H,9,10,11)
InChIKey
CVJVWHJVNYJTKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.28
TPSA
54.37
LogP / Solubility
WLOGP
2.24
MLOGP
1.97
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 6698-26-6
- Product Code: starshine_CAS6698-26-6
- Purity/Analytical method: >99.0%
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