![CAS 2565792-53-0 [S(R)]-N-[(R)-[2-(Dicyclohexylphosphino)phenyl]-2-naphthalenylmethyl]-2-dimethyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB96197093.gif)
CAS RN: 2565792-53-0
[S(R)]-N-[(R)-[2-(Dicyclohexylphosphino)phenyl]-2-naphthalenylmethyl]-2-dimethyl-2-propanesulfinamide
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: SSC-121909
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.
2565792-53-0 / (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-naphthalen-2-ylmethyl]-2-methylpropane-2-sulfinamide
Basic Information
CAS
2565792-53-0
Multi CAS
No
Molecular Formula
C33H44NOPS
Molecular Weight
533.700000
Exact Mass
533.288123
SMILES
CC(C)(C)[S@@](=O)N[C@H](C1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3P(C4CCCCC4)C5CCCCC5
InChI
InChI=1S/C33H44NOPS/c1-33(2,3)37(35)34-32(27-23-22-25-14-10-11-15-26(25)24-27)30-20-12-13-21-31(30)36(28-16-6-4-7-17-28)29-18-8-5-9-19-29/h10-15,20-24,28-29,32,34H,4-9,16-19H2,1-3H3/t32-,37-/m1/s1
InChIKey
MCSYWJVKLCHPNB-WECIHKQLSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
16
Fraction Csp3
0.52
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
163.56
TPSA
29.1
LogP / Solubility
WLOGP
8.75
MLOGP
7.74
XLogP3
8.3
Consensus LogP
8.26
Log S (ESOL)
-8.52
Class (ESOL)
Insoluble
Log S (Ali)
-10.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.23
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)
0.24
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
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