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CAS 2565792-28-9 [S(R)]-N-[(S)-[3,5-Di-tert-butyl-4-methoxyphenyl][5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]methyl]-2-methyl-2-propanesulfinamide molecular structure lightbox
CAS RN: 2565792-28-9

[S(R)]-N-[(S)-[3,5-Di-tert-butyl-4-methoxyphenyl][5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]methyl]-2-methyl-2-propanesulfinamide

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251128 5mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251106 100mg In stock Shanghai Inquiry
Batchno.20260301 250mg In stock Shanghai Inquiry
Batchno.20250816 25mg In stock Shanghai Inquiry
Batchno.20260417 50mg In stock Shanghai Inquiry
  • Product code: SSC-121894
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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 2565792-28-9
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 Shenzhen Inquiry

2565792-28-9 / (R)-N-[(S)-(3,5-ditert-butyl-4-methoxyphenyl)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)methyl]-2-methylpropane-2-sulfinamide

Standard CAS: 2565792-28-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2565792-28-9
Multi CAS
No
Molecular Formula
C47H56NO3PS
Molecular Weight
746.000000
Exact Mass
745.371853
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)OC)C(C)(C)C)N[S@](=O)C(C)(C)C)C
InChI
InChI=1S/C47H56NO3PS/c1-44(2,3)37-29-31(30-38(42(37)50-12)45(4,5)6)40(48-53(49)46(7,8)9)34-25-19-26-35-41(34)51-43-36(47(35,10)11)27-20-28-39(43)52(32-21-15-13-16-22-32)33-23-17-14-18-24-33/h13-30,40,48H,1-12H3/t40-,53+/m0/s1
InChIKey
BCSWMDYGGCPTPC-FAMOVDSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
30
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
227.06
TPSA
47.56

LogP / Solubility

WLOGP
10.62
MLOGP
9.41
XLogP3
12.3
Consensus LogP
10.78
Log S (ESOL)
-11.05
Class (ESOL)
Insoluble
Log S (Ali)
-13.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.28
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)
0.27

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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