[email protected]
CAS 2089424-11-1 N-[(1S)-1-[3′,5′-Bis(1,1-dimethylethyl)[1,1′-biphenyl]-2-yl]-2-(diphenylphosphino)ethyl]-3,5-bis(trifluoromethyl)-benzamide molecular structure lightbox
CAS RN: 2089424-11-1

N-[(1S)-1-[3′,5′-Bis(1,1-dimethylethyl)[1,1′-biphenyl]-2-yl]-2-(diphenylphosphino)ethyl]-3,5-bis(trifluoromethyl)-benzamide

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260409 25mg In stock Shanghai Inquiry
Batchno.20260409 50mg In stock Shanghai Inquiry
Batchno.20260301 5mg In stock Shanghai Inquiry
  • Product code: SSC-098325
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2089424-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.5g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2089424-11-1 / N-[(1S)-1-[2-(3,5-ditert-butylphenyl)phenyl]-2-diphenylphosphanylethyl]-3,5-bis(trifluoromethyl)benzamide

Standard CAS: 2089424-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089424-11-1
Multi CAS
No
Molecular Formula
C43H42F6NOP
Molecular Weight
733.800000
Exact Mass
733.290821
SMILES
CC(C)(C)C1=CC(=CC(=C1)C2=CC=CC=C2[C@@H](CP(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C(C)(C)C
InChI
InChI=1S/C43H42F6NOP/c1-40(2,3)30-21-28(22-31(25-30)41(4,5)6)36-19-13-14-20-37(36)38(27-52(34-15-9-7-10-16-34)35-17-11-8-12-18-35)50-39(51)29-23-32(42(44,45)46)26-33(24-29)43(47,48)49/h7-26,38H,27H2,1-6H3,(H,50,51)/t38-/m1/s1
InChIKey
YFYKUDPRTXTMTJ-KXQOOQHDSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
30
Fraction Csp3
0.28
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
199.87
TPSA
29.1

LogP / Solubility

WLOGP
11.59
MLOGP
10.26
XLogP3
12.3
Consensus LogP
11.38
Log S (ESOL)
-11.59
Class (ESOL)
Insoluble
Log S (Ali)
-13.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.01
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)
1.03

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
5.5

Customers Also Viewed

Get In Touch

Contact Us