CAS RN: 1375325-68-0

RuPhos Pd G2

  • Product code: SSC-047251
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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, 0.25g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 7
  • 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 1375325-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Hong Kong Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Shanghai Inquiry
0.25g >98% 4 In Stock Shenzhen Inquiry
25g >98% 3 In Stock Hong Kong Inquiry
100g >98% 1 In Stock Beijing Inquiry

1375325-68-0 / chloropalladium(1+);dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;2-phenylaniline

Standard CAS: 1375325-68-0 Multi CAS: No

Basic Information

CAS
1375325-68-0
Multi CAS
No
Molecular Formula
C42H53ClNO2PPd
Molecular Weight
776.700000
Exact Mass
775.253720
SMILES
CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+]
InChI
InChI=1S/C30H43O2P.C12H10N.ClH.Pd/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;/h11-13,18-25H,5-10,14-17H2,1-4H3;1-6,8-9H,13H2;1H;/q;-1;;+2/p-1
InChIKey
NVVXJVMOIGXUGC-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
24
Fraction Csp3
0.43
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
204.69
TPSA
44.48

LogP / Solubility

WLOGP
12.12
MLOGP
10.74
XLogP3
12.12
Consensus LogP
11.66
Log S (ESOL)
-12.07
Class (ESOL)
Insoluble
Log S (Ali)
-14.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.85
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)
1.15

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
5.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] 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 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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