CAS RN: 78832-95-8
4-(Benzylsulfanyl)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.20250306 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS78832-95-8
- Purity/Analytical Methods: >99.0%
78832-95-8 / 4-benzylsulfanylbenzaldehyde
Basic Information
CAS
78832-95-8
Multi CAS
No
Molecular Formula
C14H12OS
Molecular Weight
228.310000
Exact Mass
228.060886
InChI
InChI=1S/C14H12OS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2
InChIKey
NAEZWYYYMVTEIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
67.83
TPSA
17.07
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
3.4
Consensus LogP
3.51
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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)
-1.42
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 78851-85-1 4-[[5-(AMINOSULFONYL)-1,3,4-THIADIAZOL-2-YL]AMINO]-4-OXO-BUTANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/78851-85-1.gif)