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CAS 136274-57-2 (R,R”)-2,2”-Bis(diphenylphosphino)-1,1”-biferrocene molecular structure lightbox
CAS RN: 136274-57-2

(R,R”)-2,2”-Bis(diphenylphosphino)-1,1”-biferrocene

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260108 25mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260405 100mg Out of stock Inquiry
  • Product code: SSC-045184
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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
  • Available purity: ≥98%
  • 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 136274-57-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry

136274-57-2 / bis(cyclopenta-1,3-diene);[2-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane;bis(iron(2+))

Standard CAS: 136274-57-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136274-57-2
Multi CAS
No
Molecular Formula
C44H36Fe2P2
Molecular Weight
738.400000
Exact Mass
738.099096
SMILES
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC(=C1C2=C(C=C[CH-]2)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6.[Fe+2].[Fe+2]
InChI
InChI=1S/C34H26P2.2C5H5.2Fe/c1-5-15-27(16-6-1)35(28-17-7-2-8-18-28)33-25-13-23-31(33)32-24-14-26-34(32)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30;2*1-2-4-5-3-1;;/h1-26H;2*1-5H;;/q-2;2*-1;2*+2
InChIKey
VADPYXYBFVOWCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
44
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
204.55
TPSA
0.0000

LogP / Solubility

WLOGP
9.11
MLOGP
8.08
XLogP3
9.11
Consensus LogP
8.77
Log S (ESOL)
-10.38
Class (ESOL)
Insoluble
Log S (Ali)
-12.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.86
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)
-0.75

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
6.5

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