CAS RN: 23032-93-1
IODODIOXOBIS(TRIPHENYLPHOSPHINE)RHENIUM(V)
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.20250830 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS23032-93-1
- Purity/Analytical Methods: >99.0%
23032-93-1 / dioxorhenium;bis(triphenylphosphanium);hydroiodide
Basic Information
CAS
23032-93-1
Multi CAS
No
Molecular Formula
C36H33IO2P2Re+2
Molecular Weight
872.700000
Exact Mass
873.055800
SMILES
C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.O=[Re]=O.I
InChI
InChI=1S/2C18H15P.HI.2O.Re/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*1-15H;1H;;;
InChIKey
WINFRJZWFCARCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
189.87
TPSA
34.14
LogP / Solubility
WLOGP
6.73
MLOGP
6
XLogP3
6.73
Consensus LogP
6.49
Log S (ESOL)
-9.73
Class (ESOL)
Insoluble
Log S (Ali)
-11.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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