CAS RN: 1240257-94-6
2-Fluoro-5-(pentafluorosulfur)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.20260422 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1240257-94-6
- Purity/Analytical Methods: >99.0%
1240257-94-6 / 2-fluoro-5-(pentafluoro-lambda6-sulfanyl)aniline
Basic Information
CAS
1240257-94-6
Multi CAS
No
Molecular Formula
C6H5F6NS
Molecular Weight
237.170000
Exact Mass
237.004689
SMILES
C1=CC(=C(C=C1S(F)(F)(F)(F)F)N)F
InChI
InChI=1S/C6H5F6NS/c7-5-2-1-4(3-6(5)13)14(8,9,10,11)12/h1-3H,13H2
InChIKey
YJMWVAKSHDJWAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.21
TPSA
26.02
LogP / Solubility
WLOGP
4.07
MLOGP
3.58
XLogP3
4.7
Consensus LogP
4.12
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28
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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