![CAS 2565792-44-9 [S(R)]-N-[(S)-[2-(Dicyclohexylphosphino)phenyl]-2-naphthalenylmethyl]-N,2-dimethyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB76197125.gif)
CAS RN: 2565792-44-9
[S(R)]-N-[(S)-[2-(Dicyclohexylphosphino)phenyl]-2-naphthalenylmethyl]-N,2-dimethyl-2-propanesulfinamide
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: SSC-121904
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.
2565792-44-9 / (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-naphthalen-2-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
Basic Information
CAS
2565792-44-9
Multi CAS
No
Molecular Formula
C34H46NOPS
Molecular Weight
547.800000
Exact Mass
547.303773
SMILES
CC(C)(C)[S@@](=O)N(C)[C@@H](C1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3P(C4CCCCC4)C5CCCCC5
InChI
InChI=1S/C34H46NOPS/c1-34(2,3)38(36)35(4)33(28-24-23-26-15-11-12-16-27(26)25-28)31-21-13-14-22-32(31)37(29-17-7-5-8-18-29)30-19-9-6-10-20-30/h11-16,21-25,29-30,33H,5-10,17-20H2,1-4H3/t33-,38+/m0/s1
InChIKey
LSXYDTHXHIQYJE-MLZZNZMKSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
16
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
168.19
TPSA
20.31
LogP / Solubility
WLOGP
9.1
MLOGP
8.05
XLogP3
8.5
Consensus LogP
8.55
Log S (ESOL)
-8.82
Class (ESOL)
Insoluble
Log S (Ali)
-10.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.61
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)
0.4
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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[S(R)]-N-[(R)-[2-(Dicyclohexylphosphino)phenyl]-2-naphthalenylmethyl]-2-dimethyl-2-propanesulfinamide
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