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CAS 2241598-33-2 [S(R)]-N-[(S)-[2-(Dicyclohexylphosphino)phenyl]-1-naphthalenylmethyl]-N,2-dimethyl-2-propanesulfinamide molecular structure lightbox
CAS RN: 2241598-33-2

[S(R)]-N-[(S)-[2-(Dicyclohexylphosphino)phenyl]-1-naphthalenylmethyl]-N,2-dimethyl-2-propanesulfinamide

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 5mg / 25mg / 100mg Confirm by inquiry Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 100mg Out of stock Inquiry
  • Product code: SSC-109264
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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 2241598-33-2
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

2241598-33-2 / (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide

Standard CAS: 2241598-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2241598-33-2
Multi CAS
No
Molecular Formula
C34H46NOPS
Molecular Weight
547.800000
Exact Mass
547.303773
SMILES
CC(C)(C)[S@@](=O)N(C)[C@H](C1=CC=CC=C1P(C2CCCCC2)C3CCCCC3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C34H46NOPS/c1-34(2,3)38(36)35(4)33(30-24-15-17-26-16-11-12-22-29(26)30)31-23-13-14-25-32(31)37(27-18-7-5-8-19-27)28-20-9-6-10-21-28/h11-17,22-25,27-28,33H,5-10,18-21H2,1-4H3/t33-,38+/m0/s1
InChIKey
RUFQMQVSXPXGOG-MLZZNZMKSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
16
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
168.19
TPSA
20.31

LogP / Solubility

WLOGP
9.1
MLOGP
8.05
XLogP3
8.5
Consensus LogP
8.55
Log S (ESOL)
-8.82
Class (ESOL)
Insoluble
Log S (Ali)
-10.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.61
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)
0.4

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

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