[email protected]
CAS 1803239-58-8 2-Propanesulfinamide, N-[(1R)-1-[2-[[(1,1-dimethylethyl)diphenylsilyl]oxy]phenyl]-2-(diphenylphosphino)ethyl]-2-methyl-, [S(R)]- molecular structure lightbox
CAS RN: 1803239-58-8

2-Propanesulfinamide, N-[(1R)-1-[2-[[(1,1-dimethylethyl)diphenylsilyl]oxy]phenyl]-2-(diphenylphosphino)ethyl]-2-methyl-, [S(R)]-

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 5mg / 25mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 25mg Out of stock Inquiry
  • Product code: SSC-080757
GET A QUOTE
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
Request Bulk Quote

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 1803239-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.5g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1803239-58-8 / (R)-N-[(1R)-1-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-2-diphenylphosphanylethyl]-2-methylpropane-2-sulfinamide

Standard CAS: 1803239-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1803239-58-8
Multi CAS
No
Molecular Formula
C40H46NO2PSSi
Molecular Weight
663.900000
Exact Mass
663.275614
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3=CC=CC=C3[C@H](CP(C4=CC=CC=C4)C5=CC=CC=C5)N[S@](=O)C(C)(C)C
InChI
InChI=1S/C40H46NO2PSSi/c1-39(2,3)45(42)41-37(31-44(32-21-11-7-12-22-32)33-23-13-8-14-24-33)36-29-19-20-30-38(36)43-46(40(4,5)6,34-25-15-9-16-26-34)35-27-17-10-18-28-35/h7-30,37,41H,31H2,1-6H3/t37-,45+/m0/s1
InChIKey
ZPKWNQHLTCPFJE-YJBJDYJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.25
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
202.4
TPSA
38.33

LogP / Solubility

WLOGP
7.85
MLOGP
6.96
XLogP3
7.85
Consensus LogP
7.55
Log S (ESOL)
-8.66
Class (ESOL)
Insoluble
Log S (Ali)
-10.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.81
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)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us