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CAS 31904-79-7 CHLORO(CYCLOPENTADIENYL)(TRIPHENYLPHOSPHINE)NICKEL(II) molecular structure lightbox
CAS RN: 31904-79-7

CHLORO(CYCLOPENTADIENYL)(TRIPHENYLPHOSPHINE)NICKEL(II)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251106 1g In stock Chengdu Inquiry
Batchno.20250310 250mg In stock Shanghai Inquiry
Batchno.20251113 5g In stock Shenzhen Inquiry
  • Product code: SSC-137359
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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: 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 31904-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

31904-79-7 / chloronickel;cyclopentane;triphenylphosphane

Standard CAS: 31904-79-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31904-79-7
Multi CAS
Yes
Molecular Formula
C23H25CLNIP
Molecular Weight
426.600000
Exact Mass
425.073582
InChI
InChI=1S/C18H15P.C5H10.ClH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;/h1-15H;1-5H2;1H;/q;;;+1/p-1
InChIKey
HKKDAGYBGBRGJY-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
3
Molar refractivity
114.09
TPSA
0.0000

LogP / Solubility

WLOGP
6.08
MLOGP
5.38
XLogP3
6.08
Consensus LogP
5.85
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-7.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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