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CAS 1803239-59-9 2-Propanesulfinamide, N-[(1S)-1-[2-[[(1,1-dimethylethyl)diphenylsilyl]oxy]phenyl]-2-(diphenylphosphino)ethyl]-2-methyl-, [S(R)]- molecular structure lightbox
CAS RN: 1803239-59-9

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

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260112 100mg In stock Shenzhen Inquiry
Batchno.20260313 1g Out of stock Inquiry
Batchno.20250811 250mg Out of stock Inquiry
Batchno.20260429 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-080758
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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: ≥95%
  • 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 1803239-59-9
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

1803239-59-9 / (R)-N-[(1S)-1-[2-[tert-butyl(diphenyl)silyl]oxyphenyl]-2-diphenylphosphanylethyl]-2-methylpropane-2-sulfinamide

Standard CAS: 1803239-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1803239-59-9
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-/m1/s1
InChIKey
ZPKWNQHLTCPFJE-BCQDFQTISA-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

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