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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
65345-34-8 / tris(2-ethylhexyl octan-3-yl phosphate);propan-2-olate;titanium(4+)
Basic Information
CAS
65345-34-8
Multi CAS
Yes
Molecular Formula
C51H109O13P3Ti
Molecular Weight
1071.200000
Exact Mass
1070.656045
InChI
InChI=1S/3C16H35O4P.C3H8O.Ti/c3*1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;1-3(2)4;/h3*3-16H2,1-2H3,(H,17,18);3-4H,1-2H3;
InChIKey
VEZLAPVLDJVYFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Fraction Csp3
1
Rotatable bonds
42
H-bond acceptors
13
Molar refractivity
273.65
TPSA
198.83
LogP / Solubility
WLOGP
14.94
MLOGP
13.25
XLogP3
14.94
Consensus LogP
14.38
Log S (ESOL)
-13.12
Class (ESOL)
Insoluble
Log S (Ali)
-19.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.07
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)
1.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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