![CAS 141339-95-9 4-[(4-Methylphenyl)Sulfanyl]Benzaldehyde(WXC00030) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/141339-95-9.gif)
CAS RN: 141339-95-9
4-[(4-Methylphenyl)Sulfanyl]Benzaldehyde(WXC00030)
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.20260205 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS141339-95-9
- Purity/Analytical Methods: >99.0%
141339-95-9 / 4-(4-methylphenyl)sulfanylbenzaldehyde
Basic Information
CAS
141339-95-9
Multi CAS
No
Molecular Formula
C14H12OS
Molecular Weight
228.310000
Exact Mass
228.060886
SMILES
CC1=CC=C(C=C1)SC2=CC=C(C=C2)C=O
InChI
InChI=1S/C14H12OS/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14/h2-10H,1H3
InChIKey
CAXODQYDWCYSBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
67.13
TPSA
17.07
LogP / Solubility
WLOGP
3.96
MLOGP
3.49
XLogP3
3.8
Consensus LogP
3.75
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.3
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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