CAS RN: 115245-05-1
2,4,2′-Trifluoro-biphenyl
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.20260120 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS115245-05-1
- Purity/Analytical Methods: >99.0%
115245-05-1 / 2,4-difluoro-1-(2-fluorophenyl)benzene
2,2',4-Trifluoro-1,1'-biphenyl | DTXSID00563105 | RefChem:241978
Basic Information
CAS
115245-05-1
Multi CAS
No
Molecular Formula
C12H7F3
Molecular Weight
208.180000
Exact Mass
208.049985
SMILES
C1=CC=C(C(=C1)C2=C(C=C(C=C2)F)F)F
InChI
InChI=1S/C12H7F3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H
InChIKey
RVGJCKBMCAHNAZ-UHFFFAOYSA-N
Synonyms
2,2',4-Trifluoro-1,1'-biphenyl
DTXSID00563105
RefChem:241978
DTXCID40513881
2,4-difluoro-1-(2-fluorophenyl)benzene
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.75
TPSA
0.0000
LogP / Solubility
WLOGP
3.77
MLOGP
3.32
XLogP3
4.2
Consensus LogP
3.76
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
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)
-1.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 115250-38-9 (2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone
- CAS RN: 115250-38-9
- Product Code: SSC-014931
-
-
N-Methyl-N-(2-(4-aminophenoxy)ethyl)-2-(4-aminophenyl)ehtanamine
- CAS RN: 115256-13-8
- Product Code: starshine_CAS115256-13-8
- Purity/Analytical method: >99.0%
-
3-Methacrylamidopropyl Tris(Trimethylsiloxy)Silane
- CAS RN: 115257-95-9
- Product Code: SSC-014975
-
-
![CAS 115250-38-9 (2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/115250-38-9.gif)
