![CAS 2394923-85-2 2-Propanesulfinamide, N-[(1S)-1-[2′,6′-bis(1-methylethyl)[1,1′-biphenyl]-2-yl]-2-(diphenylphosphino)ethyl]-2-methyl-, [S(R)]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB58678602.gif)
CAS RN: 2394923-85-2
2-Propanesulfinamide, N-[(1S)-1-[2′,6′-bis(1-methylethyl)[1,1′-biphenyl]-2-yl]-2-(diphenylphosphino)ethyl]-2-methyl-, [S(R)]-
Product Availability
Choose a grade to view its available package options.
11 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251019 | 100mg | In stock | Inquiry | ||
| Batchno.20250629 | 1g | Out of stock | Inquiry | ||
| Batchno.20250318 | 25mg | In stock | Inquiry | ||
| Batchno.20250216 | 500mg | Out of stock | Inquiry | ||
| Batchno.20250405 | 5mg | In stock | Inquiry | ||
| Batchno.20260518 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-116901
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
2394923-85-2 / (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide
Basic Information
CAS
2394923-85-2
Multi CAS
No
Molecular Formula
C36H44NOPS
Molecular Weight
569.800000
Exact Mass
569.288123
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)C2=CC=CC=C2[C@@H](CP(C3=CC=CC=C3)C4=CC=CC=C4)N[S@](=O)C(C)(C)C
InChI
InChI=1S/C36H44NOPS/c1-26(2)30-23-16-24-31(27(3)4)35(30)33-22-15-14-21-32(33)34(37-40(38)36(5,6)7)25-39(28-17-10-8-11-18-28)29-19-12-9-13-20-29/h8-24,26-27,34,37H,25H2,1-7H3/t34-,40-/m1/s1
InChIKey
RUXRACBSTFDZFD-QLKHQFKLSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
177.77
TPSA
29.1
LogP / Solubility
WLOGP
8.83
MLOGP
7.81
XLogP3
8.9
Consensus LogP
8.51
Log S (ESOL)
-8.72
Class (ESOL)
Insoluble
Log S (Ali)
-10.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.89
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)
0.07
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
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