CAS 12126-50-0 Bis(pentamethylcyclopentadienyl)iron(II) molecular structure

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CAS RN: 12126-50-0

Bis(pentamethylcyclopentadienyl)iron(II)

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4 package records4 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260111	10g	In stock	Shanghai	Inquiry
Batchno.20260313	1g	In stock	Shanghai, Shenzhen, Tianjin	Inquiry
Batchno.20260513	250mg	In stock	Shanghai, Shenzhen	Inquiry
Batchno.20250301	5g	In stock	Shanghai, Shenzhen	Inquiry

Product code: SSC-023062

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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: ≥99%
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 12126-50-0
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥99%	0 Out of Stock	Shenzhen	Inquiry

12126-50-0 / iron(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)

Decamethylferrocene | RefChem:1083008 | DTXSID80923743

Standard CAS: 12126-50-0 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

12126-50-0

Multi CAS

Yes

Molecular Formula

C20H30Fe

Molecular Weight

326.300000

Exact Mass

326.169686

SMILES

C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Fe+2]

InChI

InChI=1S/2C10H15.Fe/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2

InChIKey

SEYZDJPFVVXSRB-UHFFFAOYSA-N

Synonyms

Decamethylferrocene RefChem:1083008 DTXSID80923743 DTXCID901783242 AKOS015915829

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.5

H-bond acceptors

Molar refractivity

91.44

TPSA

0.0000

LogP / Solubility

WLOGP

5.89

MLOGP

5.2

XLogP3

5.89

Consensus LogP

5.66

Log S (ESOL)

-5.93

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.49

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-6.67

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-0.53

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

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 (100%): 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