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CAS 540475-45-4 1,1Bis((2R,5R)-2,5-dimethylphospholano)ferrocene, min. 97% molecular structure lightbox
CAS RN: 540475-45-4

1,1Bis((2R,5R)-2,5-dimethylphospholano)ferrocene, min. 97%

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250107 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260607 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260614 250mg In stock Shanghai Inquiry
Batchno.20251129 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250203 25g In stock Tianjin Inquiry
Batchno.20250930 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-161555
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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 540475-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

540475-45-4 / bis((2R,5R)-1-cyclopenta-1,2,3,4-tetraen-1-yl-2,5-dimethylphospholane);iron(2+)

Standard CAS: 540475-45-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
540475-45-4
Multi CAS
Yes
Molecular Formula
C22H24FEP2
Molecular Weight
406.200000
Exact Mass
406.070260
InChI
InChI=1S/2C11H21P.Fe/c2*1-9-7-8-10(2)12(9)11-5-3-4-6-11;/h2*9-11H,3-8H2,1-2H3;/t2*9-,10-;/m11./s1
InChIKey
HMCOBQFHUYMJEN-ZPUHPSAWSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
104.75
TPSA
0.0000

LogP / Solubility

WLOGP
6.41
MLOGP
5.66
XLogP3
6.41
Consensus LogP
6.16
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-7.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.65

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
5

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