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CAS 2160535-58-8 [S(R)]-N-[(R)-[4-(1,1-Dimethylethyl)phenyl][5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]methyl]-2-methyl-2-propanesulfinamide molecular structure lightbox
CAS RN: 2160535-58-8

[S(R)]-N-[(R)-[4-(1,1-Dimethylethyl)phenyl][5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]methyl]-2-methyl-2-propanesulfinamide

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 5mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-103544
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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 2160535-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.5g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2160535-58-8 / N-[(R)-(4-tert-butylphenyl)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)methyl]-2-methylpropane-2-sulfinamide

Standard CAS: 2160535-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2160535-58-8
Multi CAS
No
Molecular Formula
C42H46NO2PS
Molecular Weight
659.900000
Exact Mass
659.298688
SMILES
CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C=CC=C51)[C@@H](C6=CC=C(C=C6)C(C)(C)C)NS(=O)C(C)(C)C)C
InChI
InChI=1S/C42H46NO2PS/c1-40(2,3)30-27-25-29(26-28-30)37(43-47(44)41(4,5)6)33-21-15-22-34-38(33)45-39-35(42(34,7)8)23-16-24-36(39)46(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-28,37,43H,1-8H3/t37-,47?/m1/s1
InChIKey
VJTIVTACNRPUBZ-URCBTILTSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
30
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
201.81
TPSA
38.33

LogP / Solubility

WLOGP
9.32
MLOGP
8.25
XLogP3
10.6
Consensus LogP
9.39
Log S (ESOL)
-9.81
Class (ESOL)
Insoluble
Log S (Ali)
-11.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.52
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)
-0.13

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
6.5

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