[email protected]
CAS 2049042-08-0 [S(R)]-N-[(1R)-1-[2-(Diphenylphosphino)phenyl]-2,2-dimethylpropyl]-N,2-dimethyl-2-propanesulfinamide molecular structure lightbox
CAS RN: 2049042-08-0

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

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 25mg / 100mg Out of stock 5-7 business days Inquiry
Batchno.20250305 5mg Out of stock Inquiry
  • Product code: SSC-096407
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 2049042-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.5g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2049042-08-0 / N-[1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-N,2-dimethylpropane-2-sulfinamide

Standard CAS: 2049042-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2049042-08-0
Multi CAS
No
Molecular Formula
C28H36NOPS
Molecular Weight
465.600000
Exact Mass
465.225523
SMILES
CC(C)(C)C(C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)N(C)S(=O)C(C)(C)C
InChI
InChI=1S/C28H36NOPS/c1-27(2,3)26(29(7)32(30)28(4,5)6)24-20-14-15-21-25(24)31(22-16-10-8-11-17-22)23-18-12-9-13-19-23/h8-21,26H,1-7H3
InChIKey
LSFXASOJFLAEOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
143
TPSA
20.31

LogP / Solubility

WLOGP
5.93
MLOGP
5.25
XLogP3
6.8
Consensus LogP
5.99
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-7.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.35

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us