![CAS 2565792-42-7 [S(R)]-N-[(R)-[6-(Diphenylphosphino)benzo[d][1,3]dioxol-5-yl]-1-naphthalenylmethyl]-N,2-dimethyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB06197111.gif)
CAS RN: 2565792-42-7
[S(R)]-N-[(R)-[6-(Diphenylphosphino)benzo[d][1,3]dioxol-5-yl]-1-naphthalenylmethyl]-N,2-dimethyl-2-propanesulfinamide
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: SSC-121902
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.
2565792-42-7 / (R)-N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
Basic Information
CAS
2565792-42-7
Multi CAS
No
Molecular Formula
C35H34NO3PS
Molecular Weight
579.700000
Exact Mass
579.199702
SMILES
CC(C)(C)[S@@](=O)N(C)[C@H](C1=CC=CC2=CC=CC=C21)C3=CC4=C(C=C3P(C5=CC=CC=C5)C6=CC=CC=C6)OCO4
InChI
InChI=1S/C35H34NO3PS/c1-35(2,3)41(37)36(4)34(29-21-13-15-25-14-11-12-20-28(25)29)30-22-31-32(39-24-38-31)23-33(30)40(26-16-7-5-8-17-26)27-18-9-6-10-19-27/h5-23,34H,24H2,1-4H3/t34-,41-/m1/s1
InChIKey
GGIJOJJRUYYYEK-CZNWIGJESA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
28
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
172.72
TPSA
38.77
LogP / Solubility
WLOGP
6.81
MLOGP
6.04
XLogP3
7.8
Consensus LogP
6.88
Log S (ESOL)
-7.77
Class (ESOL)
Insoluble
Log S (Ali)
-9.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.92
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)
-1.42
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
6.5
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