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CAS 1820817-64-8 APhos Pd G3 molecular structure lightbox
CAS RN: 1820817-64-8

APhos Pd G3

Product Availability

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11 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260204 100mg In stock Shanghai Inquiry
Batchno.20260206 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20251016 10g Out of stock Inquiry
Batchno.20251023 1g Out of stock Inquiry
Batchno.20260613 250mg In stock Shanghai Inquiry
Batchno.20250710 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251122 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250104 10g Out of stock Inquiry
Batchno.20251213 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250722 250mg In stock Wuhan, Chengdu Inquiry
Batchno.20250713 5g In stock Shanghai Inquiry
  • Product code: SSC-082938
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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: 0.1g, 1g, 5g, 10g, 25g, 0.25g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • 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 1820817-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Shenzhen Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 4 In Stock Hong Kong Inquiry
25g >98% 4 In Stock Shanghai Inquiry
0.25g >98% 2 In Stock Shenzhen Inquiry

1820817-64-8 / 4-ditert-butylphosphanyl-N,N-dimethylaniline;methanesulfonic acid;palladium;2-phenylaniline

Standard CAS: 1820817-64-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1820817-64-8
Multi CAS
No
Molecular Formula
C29H42N2O3PPdS-
Molecular Weight
636.100000
Exact Mass
635.168860
SMILES
CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
InChI
InChI=1S/C16H28NP.C12H10N.CH4O3S.Pd/c1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h9-12H,1-8H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;
InChIKey
OXTAAFWYZNPFBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
159.43
TPSA
83.63

LogP / Solubility

WLOGP
6.69
MLOGP
5.94
XLogP3
6.69
Consensus LogP
6.44
Log S (ESOL)
-8.16
Class (ESOL)
Insoluble
Log S (Ali)
-9.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85

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
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (66.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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