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CAS 1501945-23-8 Chloro(2-methylphenyl)[1,1′-bis(diphenylphosphino)ferrocene]nickel (II) molecular structure lightbox
CAS RN: 1501945-23-8

Chloro(2-methylphenyl)[1,1′-bis(diphenylphosphino)ferrocene]nickel (II)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260614 100mg In stock Shanghai Inquiry
Batchno.20260524 1g In stock Shanghai Inquiry
Batchno.20250423 250mg In stock Shanghai Inquiry
Batchno.20251021 5g In stock Shanghai Inquiry
  • Product code: SSC-060157
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1501945-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1501945-23-8 / chloronickel;bis(cyclopentyl(diphenyl)phosphane);iron;methylbenzene

Standard CAS: 1501945-23-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1501945-23-8
Multi CAS
No
Molecular Formula
C41H45ClFeNiP2-
Molecular Weight
749.700000
Exact Mass
748.138780
SMILES
CC1=CC=CC=[C-]1.C1CCC(C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni].[Fe]
InChI
InChI=1S/2C17H19P.C7H7.ClH.Fe.Ni/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-7-5-3-2-4-6-7;;;/h2*1-6,9-12,17H,7-8,13-14H2;2-5H,1H3;1H;;/q;;-1;;;+1/p-1
InChIKey
ILHGHGMNIAAELD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
198.52
TPSA
0.0000

LogP / Solubility

WLOGP
10.6
MLOGP
9.4
XLogP3
10.6
Consensus LogP
10.2
Log S (ESOL)
-11.26
Class (ESOL)
Insoluble
Log S (Ali)
-13.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.05
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.24

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (50%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H350 (50%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P332+P317, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501

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