CAS RN: 77422-24-3
4-(4-CHLOROBENZENESULFONYL)BENZALDEHYDE
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.20260504 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS77422-24-3
- Purity/Analytical Methods: >99.0%
77422-24-3 / 4-(4-chlorophenyl)sulfonylbenzaldehyde
Basic Information
CAS
77422-24-3
Multi CAS
No
Molecular Formula
C13H9CLO3S
Molecular Weight
280.730000
Exact Mass
279.996093
InChI
InChI=1S/C13H9ClO3S/c14-11-3-7-13(8-4-11)18(16,17)12-5-1-10(9-15)2-6-12/h1-9H
InChIKey
FVBVLYDUSHDJOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
68.73
TPSA
51.21
LogP / Solubility
WLOGP
2.99
MLOGP
2.64
XLogP3
2.7
Consensus LogP
2.78
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-2.31
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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