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CAS 2093414-16-3 1,1′-Bis[3-(trimethylammonio)propyl]ferrocene Dichloride molecular structure lightbox
CAS RN: 2093414-16-3

1,1′-Bis[3-(trimethylammonio)propyl]ferrocene Dichloride

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251021 100mg Out of stock Inquiry
Batchno.20250815 1g Out of stock Inquiry
Batchno.20260622 250mg Out of stock Inquiry
  • Product code: SSC-099171
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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: 5g
  • Available purity: >95%
  • 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 2093414-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

2093414-16-3 / bis(3-cyclopenta-1,4-dien-1-ylpropyl(trimethyl)azanium);iron(2+);dichloride

Standard CAS: 2093414-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2093414-16-3
Multi CAS
No
Molecular Formula
C22H38Cl2FeN2
Molecular Weight
457.300000
Exact Mass
456.176140
SMILES
C[N+](C)(C)CCCC1=C[CH-]C=C1.C[N+](C)(C)CCCC1=C[CH-]C=C1.[Cl-].[Cl-].[Fe+2]
InChI
InChI=1S/2C11H19N.2ClH.Fe/c2*1-12(2,3)10-6-9-11-7-4-5-8-11;;;/h2*4-5,7-8H,6,9-10H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey
FJOZKECBRJESSW-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
106.51
TPSA
0.0000

LogP / Solubility

WLOGP
-1.91
MLOGP
-1.65
XLogP3
-1.91
Consensus LogP
-1.82
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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