[email protected]
CAS 1093238-03-9 N-[(1S)-2′-amino-3,3′-dibromo-4,4′,6,6′-tetrakis(trifluoromethyl)[1,1′-biphenyl]-2-yl]-P,P-diphenyl-Phosphinous amide molecular structure lightbox
CAS RN: 1093238-03-9

N-[(1S)-2′-amino-3,3′-dibromo-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.PackageAvailabilityLead TimeInquiry
Batchno.20251216 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1093238-03-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1093238-03-9 / 2-bromo-6-[3-bromo-2-(diphenylphosphanylamino)-4,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)aniline

N-[(1R)-2'-Amino-3,3'-dibromo-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenylphosphinous Amide | N-[(1S)-2'-Amino-3,3'-dibromo-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenylphosphinous Amide | N-[(1R)-2'-amino-3,3'-dibromo-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenyl-Phosphinous amide

Standard CAS: 1093238-03-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093238-03-9
Multi CAS
No
Molecular Formula
C28H15Br2F12N2P
Molecular Weight
798.200000
Exact Mass
797.912750
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)NC3=C(C(=CC(=C3Br)C(F)(F)F)C(F)(F)F)C4=C(C(=C(C=C4C(F)(F)F)C(F)(F)F)Br)N
InChI
InChI=1S/C28H15Br2F12N2P/c29-21-17(27(37,38)39)11-15(25(31,32)33)19(23(21)43)20-16(26(34,35)36)12-18(28(40,41)42)22(30)24(20)44-45(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,44H,43H2
InChIKey
ZIJDWJUEPIHDBB-UHFFFAOYSA-N
Synonyms
N-[(1R)-2'-Amino-3,3'-dibromo-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenylphosphinous Amide N-[(1S)-2'-Amino-3,3'-dibromo-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenylphosphinous Amide N-[(1R)-2'-amino-3,3'-dibromo-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenyl-Phosphinous amide Phosphinous amide, N-[(1S)-2'-amino-3,3'-dibromo-4,4',6,6'-tetrakis(trifluoromethyl)[1,1'-biphenyl]-2-yl]-P,P-diphenyl- 2-bromo-6-[3-bromo-2-(diphenylphosphanylamino)-4,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)aniline

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
154.39
TPSA
38.05

LogP / Solubility

WLOGP
11
MLOGP
9.75
XLogP3
10.8
Consensus LogP
10.52
Log S (ESOL)
-11.78
Class (ESOL)
Insoluble
Log S (Ali)
-14.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.57
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)
0.22

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

Customers Also Viewed

Get In Touch

Contact Us