![CAS 2565792-39-2 [S(R)]-N-[(S)-[6-(Diphenylphosphino)benzo[d][1,3]dioxol-5-yl]phenylmethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB36197152.gif)
CAS RN: 2565792-39-2
[S(R)]-N-[(S)-[6-(Diphenylphosphino)benzo[d][1,3]dioxol-5-yl]phenylmethyl]-2-methyl-2-propanesulfinamide
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: SSC-121899
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.
2565792-39-2 / (R)-N-[(S)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide
Basic Information
CAS
2565792-39-2
Multi CAS
No
Molecular Formula
C30H30NO3PS
Molecular Weight
515.600000
Exact Mass
515.168402
SMILES
CC(C)(C)[S@@](=O)N[C@@H](C1=CC=CC=C1)C2=CC3=C(C=C2P(C4=CC=CC=C4)C5=CC=CC=C5)OCO3
InChI
InChI=1S/C30H30NO3PS/c1-30(2,3)36(32)31-29(22-13-7-4-8-14-22)25-19-26-27(34-21-33-26)20-28(25)35(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-20,29,31H,21H2,1-3H3/t29-,36+/m0/s1
InChIKey
LJVIRCGVEIEVNU-RHBXAEEVSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
150.59
TPSA
47.56
LogP / Solubility
WLOGP
5.31
MLOGP
4.71
XLogP3
6.4
Consensus LogP
5.47
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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