CAS RN: 990-91-0
Tetrabenzyl Pyrophosphate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-212960
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: 100g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
990-91-0 / dibenzyl bis(phenylmethoxy)phosphoryl phosphate
Basic Information
CAS
990-91-0
Multi CAS
Yes
Molecular Formula
C28H28O7P2
Molecular Weight
538.500000
Exact Mass
538.131027
InChI
InChI=1S/C28H28O7P2/c29-36(31-21-25-13-5-1-6-14-25,32-22-26-15-7-2-8-16-26)35-37(30,33-23-27-17-9-3-10-18-27)34-24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey
NSBNXCZCLRBQTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
14
H-bond acceptors
7
Molar refractivity
141.22
TPSA
80.29
LogP / Solubility
WLOGP
8.09
MLOGP
7.16
XLogP3
4.9
Consensus LogP
6.72
Log S (ESOL)
-7.83
Class (ESOL)
Insoluble
Log S (Ali)
-9.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.26
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
4.5
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