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CAS 1221746-31-1 (RP)-1-[(S)-tert-Butylphosphinoyl]-2-[(S)-1-(diphenylphosphino)ethyl]ferrocene molecular structure lightbox
CAS RN: 1221746-31-1

(RP)-1-[(S)-tert-Butylphosphinoyl]-2-[(S)-1-(diphenylphosphino)ethyl]ferrocene

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251220 100mg Out of stock Inquiry
Batchno.20250731 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250819 1g Out of stock Inquiry
Batchno.20250402 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-025159
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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 1221746-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1221746-31-1 / (Z)-tert-butyl-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-2,4-dien-1-ylidene]-oxidophosphanium;cyclopenta-1,3-diene;iron(2+)

Standard CAS: 1221746-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1221746-31-1
Multi CAS
No
Molecular Formula
C28H31FeOP2+
Molecular Weight
501.300000
Exact Mass
501.119950
SMILES
C[C@@H](C\1=CC=C/C1=[P+](\C(C)(C)C)/[O-])P(C2=CC=CC=C2)C3=CC=CC=C3.[CH-]1C=CC=C1.[Fe+2]
InChI
InChI=1S/C23H26OP2.C5H5.Fe/c1-18(21-16-11-17-22(21)26(24)23(2,3)4)25(19-12-7-5-8-13-19)20-14-9-6-10-15-20;1-2-4-5-3-1;/h5-18H,1-4H3;1-5H;/q;-1;+2/t18-;;/m0../s1
InChIKey
GKGAXSFACFRVDP-NTEVMMBTSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
139.47
TPSA
23.06

LogP / Solubility

WLOGP
6.14
MLOGP
5.44
XLogP3
6.14
Consensus LogP
5.91
Log S (ESOL)
-6.94
Class (ESOL)
Insoluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
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)
-1.42

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
4

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