![CAS 1165709-81-8 N-[(1R)-2′-amino-4,4′,6,6′-tetrakis(trifluoromethyl)[1,1′-biphenyl]-2-yl]-P,P-diphenyl-Phosphinous amide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1165709-81-8.gif)
CAS RN: 1165709-81-8
N-[(1R)-2′-amino-4,4′,6,6′-tetrakis(trifluoromethyl)[1,1′-biphenyl]-2-yl]-P,P-diphenyl-Phosphinous amide
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.20250311 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1165709-81-8
- Purity/Analytical Methods: >99.0%
1165709-81-8 / 2-[2-(diphenylphosphanylamino)-4,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)aniline
rac-TF-BiphamPhos | N-[(1S)-2'-Amino-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenylphosphinous Amide | N-[(1R)-2'-Amino-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenylphosphinous Amide
Basic Information
CAS
1165709-81-8
Multi CAS
No
Molecular Formula
C28H17F12N2P
Molecular Weight
640.400000
Exact Mass
640.093774
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)NC3=CC(=CC(=C3C4=C(C=C(C=C4N)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C28H17F12N2P/c29-25(30,31)15-11-19(27(35,36)37)23(21(41)13-15)24-20(28(38,39)40)12-16(26(32,33)34)14-22(24)42-43(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,42H,41H2
InChIKey
BMJDYAUMXBTBBL-UHFFFAOYSA-N
Synonyms
rac-TF-BiphamPhos
N-[(1S)-2'-Amino-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenylphosphinous Amide
N-[(1R)-2'-Amino-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenylphosphinous Amide
N-[(1R)-2'-amino-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenyl-Phosphinous amide
N-[(1S)-2'-amino-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenyl-Phosphinous amide
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
138.99
TPSA
38.05
LogP / Solubility
WLOGP
9.47
MLOGP
8.39
XLogP3
9.4
Consensus LogP
9.09
Log S (ESOL)
-9.86
Class (ESOL)
Insoluble
Log S (Ali)
-11.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 1165935-85-2 2-[4-chloro-2-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1165935-85-2.gif)
