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CAS 115223-09-1 N-Succinimidyl Ferrocenecarboxylate molecular structure lightbox
CAS RN: 115223-09-1

N-Succinimidyl Ferrocenecarboxylate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 50mg / 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260304 100mg In stock Shanghai Inquiry
Batchno.20251124 1g In stock Shanghai Inquiry
Batchno.20251028 250mg Out of stock Inquiry
  • Product code: SSC-014910
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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: ≥98%
  • 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 115223-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

115223-09-1 / cyclopenta-1,3-diene;(2,5-dioxopyrrolidin-1-yl) cyclopenta-1,3-diene-1-carboxylate;iron(2+)

RefChem:1087456 | DTXCID30520802 | DTXSID40570030

Standard CAS: 115223-09-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115223-09-1
Multi CAS
Yes
Molecular Formula
C15H13FeNO4
Molecular Weight
327.110000
Exact Mass
327.019393
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC=C[CH-]2.[CH-]1C=CC=C1.[Fe+2]
InChI
InChI=1S/C10H8NO4.C5H5.Fe/c12-8-5-6-9(13)11(8)15-10(14)7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H,5-6H2;1-5H;/q2*-1;+2
InChIKey
SGFLAMLINSKKJX-UHFFFAOYSA-N
Synonyms
RefChem:1087456 DTXCID30520802 DTXSID40570030 Iron(2+) cyclopenta-2,4-dien-1-ide 2-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)cyclopenta-2,4-dien-1-ide (1/1/1) Ferrocenecarboxylic Acid N-Succinimidyl Ester

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
70.57
TPSA
63.68

LogP / Solubility

WLOGP
2.03
MLOGP
1.8
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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