CAS RN: 55658-96-3
Chlorotricarbonyl(2,2′-bipyridine)rhenium(I)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260526 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55658-96-3
- Purity/Analytical Methods: >99.0%
55658-96-3 / carbon monoxide;chlororhenium;2-pyridin-2-ylpyridine
Basic Information
CAS
55658-96-3
Multi CAS
Yes
Molecular Formula
C13H8CLN2O3RE
Molecular Weight
461.870000
Exact Mass
461.978097
InChI
InChI=1S/C10H8N2.3CH2O.ClH.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;;/h1-8H;3*1H2;1H;/q;;;;;+1/p-1
InChIKey
OIHGBLVGCYSIJW-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
65.11
TPSA
85.48
LogP / Solubility
WLOGP
2.72
MLOGP
2.42
XLogP3
2.72
Consensus LogP
2.62
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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