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CAS 169689-05-8 (1S,2S)-(-)-1,2-DIAMINOCYCLOHEXANE-N,N’-BIS(2′-DIPHENYLPHOSPHINOBENZOYL) molecular structure lightbox
CAS RN: 169689-05-8

(1S,2S)-(-)-1,2-DIAMINOCYCLOHEXANE-N,N’-BIS(2′-DIPHENYLPHOSPHINOBENZOYL)

Product Availability

Choose a grade to view its available package options.

13 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250609 100mg Out of stock Inquiry
Batchno.20250804 1g In stock Inquiry
Batchno.20250608 250mg In stock Inquiry
Batchno.20260104 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260123 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250128 100g In stock Shanghai Inquiry
Batchno.20260104 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251111 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250302 1kg Out of stock Inquiry
Batchno.20250611 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260420 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20251229 500g In stock Shanghai Inquiry
Batchno.20250419 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-074288
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 0.25g, 5g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 169689-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
10g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry

169689-05-8 / 2-diphenylphosphanyl-N-[(1S,2S)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide

Standard CAS: 169689-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169689-05-8
Multi CAS
No
Molecular Formula
C44H40N2O2P2
Molecular Weight
690.700000
Exact Mass
690.256503
SMILES
C1CC[C@@H]([C@H](C1)NC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C44H40N2O2P2/c47-43(37-27-13-17-31-41(37)49(33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)50(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-14,17-28,31-32,39-40H,15-16,29-30H2,(H,45,47)(H,46,48)/t39-,40-/m0/s1
InChIKey
AXMSEDAJMGFTLR-ZAQUEYBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
36
Fraction Csp3
0.14
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
211.27
TPSA
58.2

LogP / Solubility

WLOGP
6.67
MLOGP
5.93
XLogP3
8.9
Consensus LogP
7.17
Log S (ESOL)
-8.2
Class (ESOL)
Insoluble
Log S (Ali)
-10.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.89
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)
-2.2

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
7

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