![CAS 2417456-74-5 [S(R)]-N-[(S)-[2-(Diphenylphosphino)-4,5-dimethoxyphenyl]-1-naphthalenylmethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB96197129.gif)
CAS RN: 2417456-74-5
[S(R)]-N-[(S)-[2-(Diphenylphosphino)-4,5-dimethoxyphenyl]-1-naphthalenylmethyl]-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-118113
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.
2417456-74-5 / (R)-N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
Basic Information
CAS
2417456-74-5
Multi CAS
No
Molecular Formula
C35H36NO3PS
Molecular Weight
581.700000
Exact Mass
581.215352
SMILES
CC(C)(C)[S@@](=O)N[C@@H](C1=CC=CC2=CC=CC=C21)C3=CC(=C(C=C3P(C4=CC=CC=C4)C5=CC=CC=C5)OC)OC
InChI
InChI=1S/C35H36NO3PS/c1-35(2,3)41(37)36-34(29-22-14-16-25-15-12-13-21-28(25)29)30-23-31(38-4)32(39-5)24-33(30)40(26-17-8-6-9-18-26)27-19-10-7-11-20-27/h6-24,34,36H,1-5H3/t34-,41+/m0/s1
InChIKey
GDVFMOUEWXCVPL-FJOUAFLFSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
28
Fraction Csp3
0.2
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
175.07
TPSA
47.56
LogP / Solubility
WLOGP
6.76
MLOGP
5.99
XLogP3
7.8
Consensus LogP
6.85
Log S (ESOL)
-7.61
Class (ESOL)
Insoluble
Log S (Ali)
-9.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.13
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)
-1.47
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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