CAS RN: 63313-71-3
CYCLOPENTADIENYLDICARBONYL(TETRAHYDROFURAN)IRON(II) TETRAFLUOROBORATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250711 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS63313-71-3
- Purity/Analytical Methods: >99.0%
63313-71-3 / carbon monoxide;cyclopenta-1,3-diene;iron(2+);oxolane;tetrafluoroborate
Basic Information
CAS
63313-71-3
Multi CAS
Yes
Molecular Formula
C11H13BF4FEO3
Molecular Weight
335.870000
Exact Mass
336.024323
InChI
InChI=1S/C5H5.C4H8O.2CO.BF4.Fe/c2*1-2-4-5-3-1;2*1-2;2-1(3,4)5;/h1-5H;1-4H2;;;;/q-1;;;;-1;+2
InChIKey
QGGVUGKPZSNWHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.36
H-bond acceptors
1
Molar refractivity
60.13
TPSA
49.03
LogP / Solubility
WLOGP
3.42
MLOGP
3.03
XLogP3
3.42
Consensus LogP
3.29
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
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
1.5
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