![CAS 2565792-58-5 [S(R)]-N-[(R)-[2-(Diphenylphosphino)phenyl]-1-naphthalenylmethyl]-N,2-dimethyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB26197100.gif)
CAS RN: 2565792-58-5
[S(R)]-N-[(R)-[2-(Diphenylphosphino)phenyl]-1-naphthalenylmethyl]-N,2-dimethyl-2-propanesulfinamide
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-121912
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.
2565792-58-5 / (R)-N-[(R)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
Basic Information
CAS
2565792-58-5
Multi CAS
No
Molecular Formula
C34H34NOPS
Molecular Weight
535.700000
Exact Mass
535.209873
SMILES
CC(C)(C)[S@@](=O)N(C)[C@@H](C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C34H34NOPS/c1-34(2,3)38(36)35(4)33(30-24-15-17-26-16-11-12-22-29(26)30)31-23-13-14-25-32(31)37(27-18-7-5-8-19-27)28-20-9-6-10-21-28/h5-25,33H,1-4H3/t33-,38-/m1/s1
InChIKey
ZAOBJUBMZVUTAS-VRLMBGIESA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
28
Fraction Csp3
0.18
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
166.6
TPSA
20.31
LogP / Solubility
WLOGP
7.08
MLOGP
6.27
XLogP3
8
Consensus LogP
7.12
Log S (ESOL)
-7.71
Class (ESOL)
Insoluble
Log S (Ali)
-9.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.86
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)
-0.96
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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