![CAS 745052-92-0 Triphenyl[(tetrahydro-2H-pyran-4-yl)methyl]phosphonium iodide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/745052-92-0.gif)
CAS RN: 745052-92-0
Triphenyl[(tetrahydro-2H-pyran-4-yl)methyl]phosphonium iodide
- Product code: SSC-183964
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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
745052-92-0 / oxan-4-ylmethyl(triphenyl)phosphanium iodide
Basic Information
CAS
745052-92-0
Multi CAS
No
Molecular Formula
C24H26IOP
Molecular Weight
488.300000
Exact Mass
488.076600
InChI
InChI=1S/C24H26OP.HI/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23,24-14-8-3-9-15-24)20-21-16-18-25-19-17-21;/h1-15,21H,16-20H2;1H/q+1;/p-1
InChIKey
XJEMHAHSQBWRGG-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
113.56
TPSA
9.23
LogP / Solubility
WLOGP
1.41
MLOGP
1.28
XLogP3
1.41
Consensus LogP
1.37
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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