[email protected]
CAS 1273-94-5 1,1′-Diacetylferrocene molecular structure lightbox
CAS RN: 1273-94-5

1,1′-Diacetylferrocene

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260218 100g Out of stock Inquiry
Batchno.20250226 10g In stock Shanghai, Tianjin Inquiry
Batchno.20251002 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batchno.20260526 25g In stock Shanghai Inquiry
Batchno.20251206 5g In stock Shanghai Inquiry
  • Product code: SSC-034841
GET A QUOTE
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: 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1273-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

1273-94-5 / 1-cyclopenta-2,4-dien-1-ylethanone;1-cyclopentylethanone;iron

Standard CAS: 1273-94-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1273-94-5
Multi CAS
No
Molecular Formula
C14H14FeO2-6
Molecular Weight
270.100000
Exact Mass
270.034315
SMILES
CC(=O)[C-]1[CH-][CH-][CH-][CH-]1.CC(=O)[C-]1C=CC=C1.[Fe]
InChI
InChI=1S/2C7H7O.Fe/c2*1-6(8)7-4-2-3-5-7;/h2*2-5H,1H3;/q-5;-1;
InChIKey
DAVCBKPWWUUYNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.08
TPSA
34.14

LogP / Solubility

WLOGP
3.21
MLOGP
2.84
XLogP3
3.21
Consensus LogP
3.09
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly 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)
-2.09

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (95.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (95.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Customers Also Viewed

Get In Touch

Contact Us