![CAS 24900-69-4 4-[(4-FLUOROPHENYL)SULFANYL]ANILINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24900-69-4.gif)
CAS RN: 24900-69-4
4-[(4-FLUOROPHENYL)SULFANYL]ANILINE
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.20250610 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS24900-69-4
- Purity/Analytical Methods: >99.0%
24900-69-4 / 4-(4-fluorophenyl)sulfanylaniline
Basic Information
CAS
24900-69-4
Multi CAS
No
Molecular Formula
C12H10FNS
Molecular Weight
219.280000
Exact Mass
219.051799
SMILES
C1=CC(=CC=C1N)SC2=CC=C(C=C2)F
InChI
InChI=1S/C12H10FNS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey
LNYUNEQJZJOMBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.38
TPSA
26.02
LogP / Solubility
WLOGP
3.56
MLOGP
3.13
XLogP3
3
Consensus LogP
3.23
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
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)
-1.53
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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