![CAS 1803239-44-2 [S(R)]-N-[(1S)-2-(Diphenylphosphino)-1-phenylethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB06197085.gif)
CAS RN: 1803239-44-2
[S(R)]-N-[(1S)-2-(Diphenylphosphino)-1-phenylethyl]-2-methyl-2-propanesulfinamide
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250205 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1803239-44-2
- Purity/Analytical Methods: >99.0%
1803239-44-2 / (R)-N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-2-methylpropane-2-sulfinamide
Basic Information
CAS
1803239-44-2
Multi CAS
No
Molecular Formula
C24H28NOPS
Molecular Weight
409.500000
Exact Mass
409.162923
SMILES
CC(C)(C)[S@@](=O)N[C@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H28NOPS/c1-24(2,3)28(26)25-23(20-13-7-4-8-14-20)19-27(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23,25H,19H2,1-3H3/t23-,28-/m1/s1
InChIKey
PLMGVQHFPQCELA-QDPGVEIFSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
124.15
TPSA
29.1
LogP / Solubility
WLOGP
4.91
MLOGP
4.35
XLogP3
5
Consensus LogP
4.75
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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