![CAS 1936438-22-0 “[S(R)]-N-[(1S)-1-[2-(9-anthracenyl)phenyl]-2-(diphenylphosphino)ethyl]-2-methyl-2-Propanesulfinamide” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1936438-22-0.gif)
CAS RN: 1936438-22-0
“[S(R)]-N-[(1S)-1-[2-(9-anthracenyl)phenyl]-2-(diphenylphosphino)ethyl]-2-methyl-2-Propanesulfinamide”
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: SSC-091403
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.
1936438-22-0 / (R)-N-[(1S)-1-(2-anthracen-9-ylphenyl)-2-diphenylphosphanylethyl]-2-methylpropane-2-sulfinamide
Basic Information
CAS
1936438-22-0
Multi CAS
No
Molecular Formula
C38H36NOPS
Molecular Weight
585.700000
Exact Mass
585.225523
SMILES
CC(C)(C)[S@@](=O)N[C@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3C4=C5C=CC=CC5=CC6=CC=CC=C64
InChI
InChI=1S/C38H36NOPS/c1-38(2,3)42(40)39-36(27-41(30-18-6-4-7-19-30)31-20-8-5-9-21-31)34-24-14-15-25-35(34)37-32-22-12-10-16-28(32)26-29-17-11-13-23-33(29)37/h4-26,36,39H,27H2,1-3H3/t36-,42-/m1/s1
InChIKey
LHDZLGWUAJVNNL-CBZWEFONSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
32
Fraction Csp3
0.16
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
184.6
TPSA
29.1
LogP / Solubility
WLOGP
8.89
MLOGP
7.87
XLogP3
9.2
Consensus LogP
8.65
Log S (ESOL)
-9.11
Class (ESOL)
Insoluble
Log S (Ali)
-10.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.8
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)
0.02
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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