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CAS 1293-87-4 1,1′-Ferrocenedicarboxylic Acid molecular structure lightbox
CAS RN: 1293-87-4

1,1′-Ferrocenedicarboxylic Acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 100g In stock Shanghai Inquiry
Batchno.20260402 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250122 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250831 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250516 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250209 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-036381
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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: 25g
  • 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 1293-87-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

1293-87-4 / bis(cyclopenta-1,3-diene-1-carboxylic acid);iron(2+)

Standard CAS: 1293-87-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1293-87-4
Multi CAS
No
Molecular Formula
C12H10FeO4
Molecular Weight
274.050000
Exact Mass
273.992844
SMILES
[CH-]1C=CC=C1C(=O)O.[CH-]1C=CC=C1C(=O)O.[Fe+2]
InChI
InChI=1S/2C6H5O2.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*1-4H,(H,7,8);/q2*-1;+2
InChIKey
LDSUEKXPKCHROT-UHFFFAOYSA-N

Physical Properties

Physical Description
Dark brown powder; Slight solubility in water
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.99
TPSA
74.6

LogP / Solubility

WLOGP
2.2
MLOGP
1.95
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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