CAS RN: 54082-95-0
BROMOTRICARBONYL(TETRAHYDROFURAN)RHENIU&
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251020 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS54082-95-0
- Purity/Analytical Methods: >99.0%
54082-95-0 / bromorhenium;carbon monoxide;oxolane
Basic Information
CAS
54082-95-0
Multi CAS
No
Molecular Formula
C14H16BR2O8RE2
Molecular Weight
844.490000
Exact Mass
843.827850
InChI
InChI=1S/2C4H8O.6CO.2BrH.2Re/c2*1-2-4-5-3-1;6*1-2;;;;/h2*1-4H2;;;;;;;2*1H;;/q;;;;;;;;;;2*+1/p-2
InChIKey
GARJHXMUDDMPBU-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.57
H-bond acceptors
2
Molar refractivity
81.54
TPSA
137.86
LogP / Solubility
WLOGP
3.05
MLOGP
2.77
XLogP3
3.05
Consensus LogP
2.96
Log S (ESOL)
-7
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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