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CAS 2253984-97-1 S(R)]-N-[(1S)-1-[2-(Dicyclohexylphosphino)phenyl]ethyl]-N,2-dimethyl-2-propanesulfinamide molecular structure lightbox
CAS RN: 2253984-97-1

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

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 25mg Out of stock Inquiry
Batchno.20260610 5mg Out of stock Inquiry
Batchno.20250113 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-110254
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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 2253984-97-1
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 Shanghai Inquiry

2253984-97-1 / N-[1-(2-dicyclohexylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide

Standard CAS: 2253984-97-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2253984-97-1
Multi CAS
No
Molecular Formula
C25H42NOPS
Molecular Weight
435.600000
Exact Mass
435.272473
SMILES
CC(C1=CC=CC=C1P(C2CCCCC2)C3CCCCC3)N(C)S(=O)C(C)(C)C
InChI
InChI=1S/C25H42NOPS/c1-20(26(5)29(27)25(2,3)4)23-18-12-13-19-24(23)28(21-14-8-6-9-15-21)22-16-10-7-11-17-22/h12-13,18-22H,6-11,14-17H2,1-5H3
InChIKey
DBEGJDQBKCWIDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.76
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
130.82
TPSA
20.31

LogP / Solubility

WLOGP
6.91
MLOGP
6.11
XLogP3
5.9
Consensus LogP
6.31
Log S (ESOL)
-6.65
Class (ESOL)
Insoluble
Log S (Ali)
-8.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.47

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

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