![CAS 2565792-47-2 [S(R)]-N-[(R)-(3,5-Di-tert-butyl-4-methoxyphenyl)[2-(diphenylphosphino)-4,5-dimethoxyphenyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB36197086.gif)
CAS RN: 2565792-47-2
[S(R)]-N-[(R)-(3,5-Di-tert-butyl-4-methoxyphenyl)[2-(diphenylphosphino)-4,5-dimethoxyphenyl]-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-121905
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.
2565792-47-2 / (R)-N-[(R)-(3,5-ditert-butyl-4-methoxyphenyl)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
Basic Information
CAS
2565792-47-2
Multi CAS
No
Molecular Formula
C40H52NO4PS
Molecular Weight
673.900000
Exact Mass
673.335467
SMILES
CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)[C@H](C2=CC(=C(C=C2P(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC)N[S@](=O)C(C)(C)C
InChI
InChI=1S/C40H52NO4PS/c1-38(2,3)31-23-27(24-32(37(31)45-12)39(4,5)6)36(41-47(42)40(7,8)9)30-25-33(43-10)34(44-11)26-35(30)46(28-19-15-13-16-20-28)29-21-17-14-18-22-29/h13-26,36,41H,1-12H3/t36-,47-/m1/s1
InChIKey
OQAYJVXDXWZFGS-QPZYLWFESA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.4
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
201.52
TPSA
56.79
LogP / Solubility
WLOGP
8.21
MLOGP
7.28
XLogP3
9.8
Consensus LogP
8.43
Log S (ESOL)
-8.91
Class (ESOL)
Insoluble
Log S (Ali)
-11.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.05
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
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
5.5
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