![CAS 1936438-24-2 [S(R)]-N-[(1S)-1-[3′,5′-Bis(1,1-dimethylethyl)[1,1′-biphenyl]-2-yl]-2-(diphenylphosphino)ethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB46197078(1).gif)
CAS RN: 1936438-24-2
[S(R)]-N-[(1S)-1-[3′,5′-Bis(1,1-dimethylethyl)[1,1′-biphenyl]-2-yl]-2-(diphenylphosphino)ethyl]-2-methyl-2-propanesulfinamide
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-091404
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.
1936438-24-2 / (R)-N-[(1S)-1-[2-(3,5-ditert-butylphenyl)phenyl]-2-diphenylphosphanylethyl]-2-methylpropane-2-sulfinamide
Basic Information
CAS
1936438-24-2
Multi CAS
No
Molecular Formula
C38H48NOPS
Molecular Weight
597.800000
Exact Mass
597.319423
SMILES
CC(C)(C)C1=CC(=CC(=C1)C2=CC=CC=C2[C@@H](CP(C3=CC=CC=C3)C4=CC=CC=C4)N[S@](=O)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C38H48NOPS/c1-36(2,3)29-24-28(25-30(26-29)37(4,5)6)33-22-16-17-23-34(33)35(39-42(40)38(7,8)9)27-41(31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-26,35,39H,27H2,1-9H3/t35-,42-/m1/s1
InChIKey
LBEHDJAAPPRKMG-KKMSLZIYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
186.99
TPSA
29.1
LogP / Solubility
WLOGP
9.17
MLOGP
8.12
XLogP3
10
Consensus LogP
9.1
Log S (ESOL)
-9.22
Class (ESOL)
Insoluble
Log S (Ali)
-11.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.12
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)
0.15
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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