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CAS 840454-58-2 (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine molecular structure lightbox
CAS RN: 840454-58-2

(3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250918 100mg In stock Shanghai Inquiry
Batchno.20260516 1g In stock Shanghai, Wuhan Inquiry
Batchno.20260331 250mg In stock Shanghai Inquiry
Batchno.20250707 50mg In stock Shanghai Inquiry
Batchno.20250727 5g In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-191660
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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: 0.25g, 5g, 0.1g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 840454-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

840454-58-2 / (3aR,8aR)-4,4,8,8-tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine

Standard CAS: 840454-58-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
840454-58-2
Multi CAS
Yes
Molecular Formula
C41H50NO4P
Molecular Weight
651.800000
Exact Mass
651.347746
InChI
InChI=1S/C41H50NO4P/c1-25-13-26(2)18-33(17-25)40(34-19-27(3)14-28(4)20-34)37-38(44-39(9,10)43-37)41(46-47(45-40)42(11)12,35-21-29(5)15-30(6)22-35)36-23-31(7)16-32(8)24-36/h13-24,37-38H,1-12H3/t37-,38-/m1/s1
InChIKey
MQWIRJLCMSDPCG-XPSQVAKYSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
191.83
TPSA
40.16

LogP / Solubility

WLOGP
9.7
MLOGP
8.59
XLogP3
9.3
Consensus LogP
9.2
Log S (ESOL)
-10.04
Class (ESOL)
Insoluble
Log S (Ali)
-11.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.55
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)
0.19

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
6.5

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