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CAS 1853342-54-7 [S(R)]-N-[(1S)-1-[(Diphenylphosphino)methyl]-2,2-dimethylpropyl]-2-methyl-2-propanesulfinamide molecular structure lightbox
CAS RN: 1853342-54-7

[S(R)]-N-[(1S)-1-[(Diphenylphosphino)methyl]-2,2-dimethylpropyl]-2-methyl-2-propanesulfinamide

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250829 5mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250919 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251019 1g In stock Shanghai Inquiry
Batchno.20250717 250mg In stock Shanghai Inquiry
  • Product code: SSC-085794
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1853342-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry
0.5g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1853342-54-7 / (R)-N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide

Standard CAS: 1853342-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1853342-54-7
Multi CAS
No
Molecular Formula
C22H32NOPS
Molecular Weight
389.500000
Exact Mass
389.194223
SMILES
CC(C)(C)[C@@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)N[S@](=O)C(C)(C)C
InChI
InChI=1S/C22H32NOPS/c1-21(2,3)20(23-26(24)22(4,5)6)17-25(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20,23H,17H2,1-6H3/t20-,26?/m1/s1
InChIKey
BBPMRIDBKUKROD-TUHVGIAZSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
118.21
TPSA
29.1

LogP / Solubility

WLOGP
4.59
MLOGP
4.06
XLogP3
5.3
Consensus LogP
4.65
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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