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CAS 2757082-03-2 [(4R)-4,5-dihydro-4-(phenylMethyl)-2-oxazolyl]-Ferrocene molecular structure lightbox
CAS RN: 2757082-03-2

[(4R)-4,5-dihydro-4-(phenylMethyl)-2-oxazolyl]-Ferrocene

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251026 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251125 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250105 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250216 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260101 5g Out of stock Inquiry
  • Product code: SSC-127199
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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: ＞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 2757082-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2757082-03-2 / 4-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopenta-2,4-dien-1-yl-1,3-oxazole;cyclopentane;iron

Standard CAS: 2757082-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2757082-03-2
Multi CAS
No
Molecular Formula
C20H19FENO-6
Molecular Weight
345.200000
Exact Mass
345.081600
InChI
InChI=1S/C15H14NO.C5H5.Fe/c1-2-6-12(7-3-1)10-14-11-17-15(16-14)13-8-4-5-9-13;1-2-4-5-3-1;/h2,4-9,11H,1,3,10H2;1-5H;/q-1;-5;
InChIKey
ZMFUNGFJQCTXEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
89.73
TPSA
26.03

LogP / Solubility

WLOGP
5.28
MLOGP
4.67
XLogP3
5.28
Consensus LogP
5.08
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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