[email protected]
CAS 2162939-91-3 “[S(R)]-N-((1R)-(Adamantan-1-yl)(5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl)methyl)-2-methyl-2-propanesulfinamide” molecular structure lightbox
CAS RN: 2162939-91-3

“[S(R)]-N-((1R)-(Adamantan-1-yl)(5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl)methyl)-2-methyl-2-propanesulfinamide”

Product Availability

Choose a grade to view its available package options.

4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250730 5mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260422 100mg In stock Tianjin, Chengdu Inquiry
Batchno.20250216 250mg Out of stock Inquiry
Batchno.20260105 50mg Out of stock Inquiry
  • Product code: SSC-103639
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 2162939-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.5g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2162939-91-3 / (R)-N-[(R)-1-adamantyl-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)methyl]-2-methylpropane-2-sulfinamide

Standard CAS: 2162939-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2162939-91-3
Multi CAS
No
Molecular Formula
C42H48NO2PS
Molecular Weight
661.900000
Exact Mass
661.314338
SMILES
CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C=CC=C51)[C@@H](C67CC8CC(C6)CC(C8)C7)N[S@](=O)C(C)(C)C)C
InChI
InChI=1S/C42H48NO2PS/c1-40(2,3)47(44)43-39(42-25-28-22-29(26-42)24-30(23-28)27-42)33-18-12-19-34-37(33)45-38-35(41(34,4)5)20-13-21-36(38)46(31-14-8-6-9-15-31)32-16-10-7-11-17-32/h6-21,28-30,39,43H,22-27H2,1-5H3/t28?,29?,30?,39-,42?,47+/m0/s1
InChIKey
DDAVVJQEEHFBRU-DQUPIJKKSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
198.17
TPSA
38.33

LogP / Solubility

WLOGP
9.19
MLOGP
8.14
XLogP3
10.2
Consensus LogP
9.18
Log S (ESOL)
-9.65
Class (ESOL)
Insoluble
Log S (Ali)
-11.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.43
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)
-0.24

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
10

Customers Also Viewed

Get In Touch

Contact Us