CAS 1445085-55-1 XPhos Pd G3 molecular structure

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CAS RN: 1445085-55-1

XPhos Pd G3

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7 package records7 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251006	100g	In stock	Shanghai, Tianjin, Chengdu	Inquiry
Batchno.20260311	10g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu	Inquiry
Batchno.20250318	1g	In stock	Shanghai, Tianjin	Inquiry
Batchno.20250825	250mg	In stock	Shanghai	Inquiry
Batchno.20260622	250mg / 1g / 5g / 25g	Confirm by inquiry	Shanghai, Shandong, Guangdong	Inquiry
Batchno.20250206	25g	In stock	Shanghai, Tianjin, Chengdu	Inquiry
Batchno.20250215	5g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu	Inquiry

Product code: SSC-055691

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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, 1g, 25g, 100g, 5g, 10g
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 1445085-55-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.25g	＞98%	5 In Stock	Beijing	Inquiry
1g	＞98%	5 In Stock	Hong Kong	Inquiry
25g	＞98%	5 In Stock	Shanghai	Inquiry
100g	＞98%	5 In Stock	Shenzhen	Inquiry
5g	＞98%	2 In Stock	Shenzhen	Inquiry
10g	＞98%	1 In Stock	Shanghai	Inquiry

1445085-55-1 / dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline

Standard CAS: 1445085-55-1 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

1445085-55-1

Multi CAS

Molecular Formula

C46H63NO3PPdS-

Molecular Weight

847.500000

Exact Mass

846.330110

SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]

InChI

InChI=1S/C33H49P.C12H10N.CH4O3S.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;

InChIKey

MSDBKVKSEKVUAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.48

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

227.04

TPSA

80.39

LogP / Solubility

WLOGP

12.73

MLOGP

11.28

XLogP3

12.73

Consensus LogP

12.25

Log S (ESOL)

-12.92

Class (ESOL)

Insoluble

Log S (Ali)

-15.7

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-16.7

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

1.15

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.17

Brenk alerts

Leadlikeness

Synthetic Accessibility

5.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (50%): 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, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Applications of CAS 1445085-55-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1445085-55-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.