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CAS 2011787-22-5 N-[(1S)-1-[2-(9-anthracenyl)phenyl]-2-(diphenylphosphino)ethyl]-3,5-bis(trifluoromethyl)-Benzamide molecular structure lightbox
CAS RN: 2011787-22-5

N-[(1S)-1-[2-(9-anthracenyl)phenyl]-2-(diphenylphosphino)ethyl]-3,5-bis(trifluoromethyl)-Benzamide

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 100mg Out of stock Inquiry
Batchno.20250424 25mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-094912
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 2011787-22-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2011787-22-5 / N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-3,5-bis(trifluoromethyl)benzamide

Standard CAS: 2011787-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2011787-22-5
Multi CAS
No
Molecular Formula
C43H30F6NOP
Molecular Weight
721.700000
Exact Mass
721.196921
SMILES
C1=CC=C(C=C1)P(C[C@H](C2=CC=CC=C2C3=C4C=CC=CC4=CC5=CC=CC=C53)NC(=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)C7=CC=CC=C7
InChI
InChI=1S/C43H30F6NOP/c44-42(45,46)31-24-30(25-32(26-31)43(47,48)49)41(51)50-39(27-52(33-15-3-1-4-16-33)34-17-5-2-6-18-34)37-21-11-12-22-38(37)40-35-19-9-7-13-28(35)23-29-14-8-10-20-36(29)40/h1-26,39H,27H2,(H,50,51)/t39-/m1/s1
InChIKey
AJGNHZZHDMJRLU-LDLOPFEMSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
38
Fraction Csp3
0.09
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
197.48
TPSA
29.1

LogP / Solubility

WLOGP
11.3
MLOGP
10.01
XLogP3
11.4
Consensus LogP
10.9
Log S (ESOL)
-11.45
Class (ESOL)
Insoluble
Log S (Ali)
-13.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.69
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)
0.9

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
6.5

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